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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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/Science-9efd2239/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Science-9efd2239/inputs/seq.fa: 1
curr_seq: _GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAGCUCAACUCUCCCCCCCUUUUCCGAGGGUCAUCGGAACCA
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 44 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: 225
n_atoms_counter: 225
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((.......)))))......((((((......))))))..._
chain: 1: _.................(((.........)))............_
nucl1: 4, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 3, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 2, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 1, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 0, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 28, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 28, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 27, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 26, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 25, chain1: 0, <---> nucl2: 38, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 38
nucl1: 24, chain1: 0, <---> nucl2: 39, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 39
nucl1: 23, chain1: 0, <---> nucl2: 40, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 23, chainIndex_2: 0, nuclIndex_2: 40
nucl1: 19, chain1: 0, <---> nucl2: 29, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 29
nucl1: 18, chain1: 0, <---> nucl2: 30, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 30
nucl1: 17, chain1: 0, <---> nucl2: 31, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 31
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 44.000000 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: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 1
Temperature: 1.200000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 396.571672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 396.571672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566550 (E_RNA)
where:
Base-Base interactions energy: -1.961
where: short stacking energy: -1.961
Base-Backbone interact. energy: -0.000
local terms energy: -171.605599
where:
bonds (distance) C4'-P energy: -42.749
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 570.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -307.662263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.662263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.025029 (E_RNA)
where:
Base-Base interactions energy: -204.576
where: short stacking energy: -80.365
Base-Backbone interact. energy: -0.302
local terms energy: -109.147753
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -11.403
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -348.870968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.870968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.422393 (E_RNA)
where:
Base-Base interactions energy: -244.296
where: short stacking energy: -90.217
Base-Backbone interact. energy: -0.382
local terms energy: -111.744192
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 7.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -335.452462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.452462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.765304 (E_RNA)
where:
Base-Base interactions energy: -231.392
where: short stacking energy: -93.761
Base-Backbone interact. energy: -0.553
local terms energy: -124.820356
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 21.313 (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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -302.789095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.789095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.595947 (E_RNA)
where:
Base-Base interactions energy: -203.683
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.058
local terms energy: -107.854872
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 8.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -330.063727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.063727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.418734 (E_RNA)
where:
Base-Base interactions energy: -239.372
where: short stacking energy: -79.794
Base-Backbone interact. energy: 3.363
local terms energy: -101.409593
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 7.355 (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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -349.392517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.392517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.352493 (E_RNA)
where:
Base-Base interactions energy: -246.815
where: short stacking energy: -95.717
Base-Backbone interact. energy: -0.643
local terms energy: -110.895148
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -24.528
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 8.960 (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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -345.137297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.137297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.343508 (E_RNA)
where:
Base-Base interactions energy: -258.481
where: short stacking energy: -97.541
Base-Backbone interact. energy: 1.773
local terms energy: -89.634961
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 1.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -273.981391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.981391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.666709 (E_RNA)
where:
Base-Base interactions energy: -184.508
where: short stacking energy: -71.463
Base-Backbone interact. energy: 1.112
local terms energy: -101.270705
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 10.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -315.737251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.737251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.386126 (E_RNA)
where:
Base-Base interactions energy: -218.193
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.458
local terms energy: -107.734682
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 10.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -193.467810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.467810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.408496 (E_RNA)
where:
Base-Base interactions energy: -138.474
where: short stacking energy: -49.609
Base-Backbone interact. energy: 1.084
local terms energy: -75.018324
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 18.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -347.329502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.329502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.990770 (E_RNA)
where:
Base-Base interactions energy: -233.143
where: short stacking energy: -101.307
Base-Backbone interact. energy: -0.435
local terms energy: -123.412963
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -29.680
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 9.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -401.159289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.159289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.659244 (E_RNA)
where:
Base-Base interactions energy: -278.070
where: short stacking energy: -117.060
Base-Backbone interact. energy: -0.275
local terms energy: -135.314159
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -25.716
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 12.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -368.096461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.096461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.882046 (E_RNA)
where:
Base-Base interactions energy: -250.684
where: short stacking energy: -103.803
Base-Backbone interact. energy: 2.033
local terms energy: -129.231033
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 9.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -406.381288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.381288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.698789 (E_RNA)
where:
Base-Base interactions energy: -291.511
where: short stacking energy: -102.900
Base-Backbone interact. energy: -0.921
local terms energy: -120.266969
where:
bonds (distance) C4'-P energy: -28.964
bonds (distance) P-C4' energy: -29.241
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 6.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -286.487696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.487696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.004702 (E_RNA)
where:
Base-Base interactions energy: -207.606
where: short stacking energy: -85.736
Base-Backbone interact. energy: 2.259
local terms energy: -94.657849
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -26.989
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 13.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -379.152357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.152357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.142981 (E_RNA)
where:
Base-Base interactions energy: -255.559
where: short stacking energy: -102.049
Base-Backbone interact. energy: -0.114
local terms energy: -125.470185
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -27.339
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -402.996827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.996827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.207606 (E_RNA)
where:
Base-Base interactions energy: -283.869
where: short stacking energy: -112.574
Base-Backbone interact. energy: -0.734
local terms energy: -129.605503
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -25.694
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 11.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -359.248936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.248936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.498241 (E_RNA)
where:
Base-Base interactions energy: -266.340
where: short stacking energy: -107.092
Base-Backbone interact. energy: 1.239
local terms energy: -107.396496
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 13.249 (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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -312.553700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.553700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.632169 (E_RNA)
where:
Base-Base interactions energy: -227.931
where: short stacking energy: -85.047
Base-Backbone interact. energy: -0.182
local terms energy: -94.519183
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 10.078 (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: 3
Temperature: 1.350000
Total energy: -236.639883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.639883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.147024 (E_RNA)
where:
Base-Base interactions energy: -158.984
where: short stacking energy: -61.588
Base-Backbone interact. energy: 3.152
local terms energy: -87.314559
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -7.439
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -427.691317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.691317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.826377 (E_RNA)
where:
Base-Base interactions energy: -297.932
where: short stacking energy: -119.852
Base-Backbone interact. energy: -0.951
local terms energy: -137.943222
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -33.469
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -29.708
Dist. restrs. and SS energy: 9.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -360.542354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.542354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.573612 (E_RNA)
where:
Base-Base interactions energy: -254.221
where: short stacking energy: -94.183
Base-Backbone interact. energy: 1.606
local terms energy: -112.958712
where:
bonds (distance) C4'-P energy: -28.457
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 5.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -413.435134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.435134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.322240 (E_RNA)
where:
Base-Base interactions energy: -296.762
where: short stacking energy: -120.187
Base-Backbone interact. energy: 0.930
local terms energy: -121.490366
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 3.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -359.152592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.152592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.714396 (E_RNA)
where:
Base-Base interactions energy: -236.186
where: short stacking energy: -97.478
Base-Backbone interact. energy: -0.676
local terms energy: -130.852372
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 8.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -413.116513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.116513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.295929 (E_RNA)
where:
Base-Base interactions energy: -301.210
where: short stacking energy: -129.224
Base-Backbone interact. energy: -0.811
local terms energy: -111.274532
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.179 (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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -335.241290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.241290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.277951 (E_RNA)
where:
Base-Base interactions energy: -221.694
where: short stacking energy: -87.768
Base-Backbone interact. energy: -1.526
local terms energy: -120.057739
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -26.022
flat angles C4'-P-C4' energy: -32.277
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 8.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -401.935180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.935180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.088331 (E_RNA)
where:
Base-Base interactions energy: -280.316
where: short stacking energy: -107.565
Base-Backbone interact. energy: -2.623
local terms energy: -130.148585
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 11.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -371.107344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.107344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.121995 (E_RNA)
where:
Base-Base interactions energy: -258.414
where: short stacking energy: -92.626
Base-Backbone interact. energy: -0.713
local terms energy: -121.994277
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -29.151
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 10.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -291.163303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.163303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.564335 (E_RNA)
where:
Base-Base interactions energy: -197.900
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.563
local terms energy: -104.101823
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 11.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -275.980801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.980801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.755794 (E_RNA)
where:
Base-Base interactions energy: -181.358
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.888
local terms energy: -102.510325
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 8.775 (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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -420.175862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.175862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.398483 (E_RNA)
where:
Base-Base interactions energy: -286.834
where: short stacking energy: -125.984
Base-Backbone interact. energy: -0.435
local terms energy: -141.128834
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -30.168
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -33.944
Dist. restrs. and SS energy: 8.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -414.575649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.575649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.501532 (E_RNA)
where:
Base-Base interactions energy: -280.530
where: short stacking energy: -109.560
Base-Backbone interact. energy: -1.496
local terms energy: -137.475458
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -31.097
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -22.756
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: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -350.777200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.777200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.214216 (E_RNA)
where:
Base-Base interactions energy: -239.857
where: short stacking energy: -94.485
Base-Backbone interact. energy: -0.295
local terms energy: -116.061811
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 5.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -426.301538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.301538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.776303 (E_RNA)
where:
Base-Base interactions energy: -308.055
where: short stacking energy: -119.722
Base-Backbone interact. energy: -1.087
local terms energy: -117.634512
where:
bonds (distance) C4'-P energy: -29.813
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.475 (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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -343.726836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.726836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.618255 (E_RNA)
where:
Base-Base interactions energy: -251.166
where: short stacking energy: -90.887
Base-Backbone interact. energy: -0.748
local terms energy: -98.703532
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -20.070
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -420.003286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.003286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.567138 (E_RNA)
where:
Base-Base interactions energy: -306.377
where: short stacking energy: -120.436
Base-Backbone interact. energy: 4.033
local terms energy: -129.222234
where:
bonds (distance) C4'-P energy: -28.775
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 11.564 (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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -321.739325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.739325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.195732 (E_RNA)
where:
Base-Base interactions energy: -218.738
where: short stacking energy: -86.034
Base-Backbone interact. energy: 0.582
local terms energy: -113.040232
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 9.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -360.671674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.671674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.014721 (E_RNA)
where:
Base-Base interactions energy: -260.854
where: short stacking energy: -105.198
Base-Backbone interact. energy: -1.457
local terms energy: -112.704185
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 14.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -307.600492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.600492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.818222 (E_RNA)
where:
Base-Base interactions energy: -215.527
where: short stacking energy: -76.060
Base-Backbone interact. energy: -0.084
local terms energy: -97.207878
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 5.218 (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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -374.281192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.281192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.900376 (E_RNA)
where:
Base-Base interactions energy: -277.211
where: short stacking energy: -111.140
Base-Backbone interact. energy: -0.651
local terms energy: -107.038759
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -26.188
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: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -426.541124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.541124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.970810 (E_RNA)
where:
Base-Base interactions energy: -301.751
where: short stacking energy: -113.520
Base-Backbone interact. energy: 1.752
local terms energy: -132.972185
where:
bonds (distance) C4'-P energy: -32.244
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -31.355
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: -24.877
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -416.185715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.185715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.706561 (E_RNA)
where:
Base-Base interactions energy: -286.378
where: short stacking energy: -126.846
Base-Backbone interact. energy: -0.756
local terms energy: -138.571893
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -31.355
Dist. restrs. and SS energy: 9.521 (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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -442.458125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.458125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.049592 (E_RNA)
where:
Base-Base interactions energy: -313.784
where: short stacking energy: -134.036
Base-Backbone interact. energy: -0.731
local terms energy: -129.534898
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -32.079
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -30.351
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -363.651803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.651803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.454430 (E_RNA)
where:
Base-Base interactions energy: -262.834
where: short stacking energy: -100.546
Base-Backbone interact. energy: -0.227
local terms energy: -105.393672
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -25.786
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -23.630
Dist. restrs. and SS energy: 4.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -426.412895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.412895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.788155 (E_RNA)
where:
Base-Base interactions energy: -299.668
where: short stacking energy: -118.477
Base-Backbone interact. energy: -0.565
local terms energy: -136.555314
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -28.950
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -36.468
Dist. restrs. and SS energy: 10.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -334.124050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.124050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.527728 (E_RNA)
where:
Base-Base interactions energy: -230.597
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.728
local terms energy: -110.202981
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 7.404 (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: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -393.111585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.111585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.364966 (E_RNA)
where:
Base-Base interactions energy: -280.549
where: short stacking energy: -104.816
Base-Backbone interact. energy: -1.312
local terms energy: -120.503240
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -29.143
Dist. restrs. and SS energy: 9.253 (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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -303.875725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.875725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.464295 (E_RNA)
where:
Base-Base interactions energy: -212.564
where: short stacking energy: -89.242
Base-Backbone interact. energy: -1.500
local terms energy: -100.400370
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 10.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -423.970719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.970719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.025682 (E_RNA)
where:
Base-Base interactions energy: -295.185
where: short stacking energy: -113.833
Base-Backbone interact. energy: 0.548
local terms energy: -137.388401
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 8.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -382.352225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.352225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.232463 (E_RNA)
where:
Base-Base interactions energy: -276.408
where: short stacking energy: -105.238
Base-Backbone interact. energy: -0.847
local terms energy: -106.977526
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -436.853202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.853202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.428958 (E_RNA)
where:
Base-Base interactions energy: -305.935
where: short stacking energy: -114.459
Base-Backbone interact. energy: 0.980
local terms energy: -138.474026
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -26.989
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -24.262
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: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -459.920974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.920974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.979258 (E_RNA)
where:
Base-Base interactions energy: -324.434
where: short stacking energy: -124.789
Base-Backbone interact. energy: -1.176
local terms energy: -134.369353
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -422.556715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.556715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.366156 (E_RNA)
where:
Base-Base interactions energy: -297.871
where: short stacking energy: -122.314
Base-Backbone interact. energy: 0.602
local terms energy: -135.096730
where:
bonds (distance) C4'-P energy: -28.317
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -32.464
Dist. restrs. and SS energy: 9.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -419.856859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.391540 (E_RNA)
where:
Base-Base interactions energy: -305.979
where: short stacking energy: -119.509
Base-Backbone interact. energy: -0.827
local terms energy: -119.585299
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -29.030
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -365.822866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.822866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.755672 (E_RNA)
where:
Base-Base interactions energy: -260.460
where: short stacking energy: -113.051
Base-Backbone interact. energy: -0.294
local terms energy: -112.001711
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 6.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -391.897565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.897565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.023152 (E_RNA)
where:
Base-Base interactions energy: -286.887
where: short stacking energy: -101.124
Base-Backbone interact. energy: 2.706
local terms energy: -115.841492
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 8.126 (S_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: 7
Temperature: 1.200000
Total energy: -302.825014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.825014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.614963 (E_RNA)
where:
Base-Base interactions energy: -216.891
where: short stacking energy: -82.316
Base-Backbone interact. energy: 3.782
local terms energy: -99.506448
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 9.790 (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: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -447.635265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.635265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.123531 (E_RNA)
where:
Base-Base interactions energy: -316.400
where: short stacking energy: -136.549
Base-Backbone interact. energy: -0.648
local terms energy: -131.074795
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -25.221
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -32.024
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -318.666648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.666648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.073212 (E_RNA)
where:
Base-Base interactions energy: -225.661
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.745
local terms energy: -105.667056
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -24.385
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 13.407 (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: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -368.959318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.959318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.982913 (E_RNA)
where:
Base-Base interactions energy: -270.631
where: short stacking energy: -108.813
Base-Backbone interact. energy: 2.719
local terms energy: -102.070678
where:
bonds (distance) C4'-P energy: -21.542
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -19.967
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -482.567782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.567782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.804042 (E_RNA)
where:
Base-Base interactions energy: -337.565
where: short stacking energy: -142.207
Base-Backbone interact. energy: -0.863
local terms energy: -144.376466
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -30.218
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -416.062850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.062850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.964509 (E_RNA)
where:
Base-Base interactions energy: -288.154
where: short stacking energy: -118.292
Base-Backbone interact. energy: 1.827
local terms energy: -136.637693
where:
bonds (distance) C4'-P energy: -30.065
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -31.981
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 6.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -430.131112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.131112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.776755 (E_RNA)
where:
Base-Base interactions energy: -295.665
where: short stacking energy: -128.398
Base-Backbone interact. energy: 1.538
local terms energy: -142.650233
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 6.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -411.317137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.317137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.148105 (E_RNA)
where:
Base-Base interactions energy: -286.627
where: short stacking energy: -120.835
Base-Backbone interact. energy: -1.426
local terms energy: -133.095442
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -32.443
Dist. restrs. and SS energy: 9.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -404.988260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.988260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.692942 (E_RNA)
where:
Base-Base interactions energy: -286.765
where: short stacking energy: -116.920
Base-Backbone interact. energy: 0.129
local terms energy: -125.056751
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 6.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -353.016125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.016125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.088560 (E_RNA)
where:
Base-Base interactions energy: -257.563
where: short stacking energy: -84.626
Base-Backbone interact. energy: -1.068
local terms energy: -96.457516
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -453.288984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.532473 (E_RNA)
where:
Base-Base interactions energy: -321.183
where: short stacking energy: -122.313
Base-Backbone interact. energy: -0.416
local terms energy: -131.933384
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -293.496883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.496883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.663708 (E_RNA)
where:
Base-Base interactions energy: -194.824
where: short stacking energy: -85.121
Base-Backbone interact. energy: -1.152
local terms energy: -108.688412
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 11.167 (S_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: 8
Temperature: 1.300000
Total energy: -377.297592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.297592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.923145 (E_RNA)
where:
Base-Base interactions energy: -270.601
where: short stacking energy: -102.255
Base-Backbone interact. energy: -0.405
local terms energy: -108.917337
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -316.462974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.462974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.148342 (E_RNA)
where:
Base-Base interactions energy: -226.680
where: short stacking energy: -84.388
Base-Backbone interact. energy: -0.464
local terms energy: -104.003391
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 14.685 (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: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -501.415112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.415112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.063651 (E_RNA)
where:
Base-Base interactions energy: -358.220
where: short stacking energy: -153.743
Base-Backbone interact. energy: -0.608
local terms energy: -143.235486
where:
bonds (distance) C4'-P energy: -25.192
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -38.785
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -442.503228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.503228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.266717 (E_RNA)
where:
Base-Base interactions energy: -315.623
where: short stacking energy: -118.497
Base-Backbone interact. energy: -0.809
local terms energy: -133.835215
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 7.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -383.379008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.379008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.015115 (E_RNA)
where:
Base-Base interactions energy: -271.848
where: short stacking energy: -100.780
Base-Backbone interact. energy: -1.475
local terms energy: -116.692584
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 6.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -436.232702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.232702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.324033 (E_RNA)
where:
Base-Base interactions energy: -311.389
where: short stacking energy: -117.549
Base-Backbone interact. energy: -1.060
local terms energy: -128.874487
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -28.694
Dist. restrs. and SS energy: 5.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -397.648422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.648422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.190722 (E_RNA)
where:
Base-Base interactions energy: -269.991
where: short stacking energy: -108.999
Base-Backbone interact. energy: -0.749
local terms energy: -134.450592
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -28.932
Dist. restrs. and SS energy: 7.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -460.102955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.102955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.439460 (E_RNA)
where:
Base-Base interactions energy: -319.853
where: short stacking energy: -115.200
Base-Backbone interact. energy: 1.269
local terms energy: -141.855212
where:
bonds (distance) C4'-P energy: -26.157
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -32.198
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: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -316.993109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.993109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.328615 (E_RNA)
where:
Base-Base interactions energy: -235.478
where: short stacking energy: -81.766
Base-Backbone interact. energy: -0.412
local terms energy: -87.438102
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 6.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -419.045779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.045779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.697859 (E_RNA)
where:
Base-Base interactions energy: -301.298
where: short stacking energy: -119.946
Base-Backbone interact. energy: 0.330
local terms energy: -118.729837
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -26.793
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -279.170268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.170268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.220877 (E_RNA)
where:
Base-Base interactions energy: -191.418
where: short stacking energy: -72.867
Base-Backbone interact. energy: 0.424
local terms energy: -97.225905
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 9.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -369.259223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.037447 (E_RNA)
where:
Base-Base interactions energy: -259.337
where: short stacking energy: -104.539
Base-Backbone interact. energy: -0.700
local terms energy: -116.000649
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 6.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -500.023250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.023250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.320032 (E_RNA)
where:
Base-Base interactions energy: -358.711
where: short stacking energy: -147.739
Base-Backbone interact. energy: -0.385
local terms energy: -141.224412
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -28.766
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -32.866
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -436.745641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.745641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.478257 (E_RNA)
where:
Base-Base interactions energy: -312.941
where: short stacking energy: -125.832
Base-Backbone interact. energy: -0.949
local terms energy: -130.587574
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 7.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -438.824562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.824562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.379417 (E_RNA)
where:
Base-Base interactions energy: -313.872
where: short stacking energy: -128.003
Base-Backbone interact. energy: -0.492
local terms energy: -131.015419
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: 6.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -391.585699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.585699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.479021 (E_RNA)
where:
Base-Base interactions energy: -272.495
where: short stacking energy: -110.715
Base-Backbone interact. energy: 1.965
local terms energy: -127.949386
where:
bonds (distance) C4'-P energy: -26.896
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -27.915
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: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -483.865309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.865309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.050924 (E_RNA)
where:
Base-Base interactions energy: -345.007
where: short stacking energy: -143.232
Base-Backbone interact. energy: 0.473
local terms energy: -139.516990
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -30.830
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -35.433
Dist. restrs. and SS energy: 0.186 (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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -376.590878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.590878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.288156 (E_RNA)
where:
Base-Base interactions energy: -254.455
where: short stacking energy: -113.144
Base-Backbone interact. energy: -1.176
local terms energy: -129.657463
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -26.290
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 8.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -436.616421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.616421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.127707 (E_RNA)
where:
Base-Base interactions energy: -308.715
where: short stacking energy: -117.619
Base-Backbone interact. energy: -1.329
local terms energy: -127.083815
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -318.965367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.965367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.453633 (E_RNA)
where:
Base-Base interactions energy: -226.821
where: short stacking energy: -86.706
Base-Backbone interact. energy: -0.439
local terms energy: -103.193997
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -25.497
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -18.950
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 11.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -416.463017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.463017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.768630 (E_RNA)
where:
Base-Base interactions energy: -286.246
where: short stacking energy: -110.241
Base-Backbone interact. energy: 0.199
local terms energy: -130.721581
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -28.147
Dist. restrs. and SS energy: 0.306 (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: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -275.012480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.012480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.337610 (E_RNA)
where:
Base-Base interactions energy: -184.094
where: short stacking energy: -76.316
Base-Backbone interact. energy: 0.022
local terms energy: -100.265630
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -25.391
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 9.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -496.715016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.715016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.034798 (E_RNA)
where:
Base-Base interactions energy: -354.355
where: short stacking energy: -142.236
Base-Backbone interact. energy: -0.608
local terms energy: -142.072257
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -33.769
Dist. restrs. and SS energy: 0.320 (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: 9
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -473.302360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.302360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.881937 (E_RNA)
where:
Base-Base interactions energy: -332.201
where: short stacking energy: -138.609
Base-Backbone interact. energy: -0.893
local terms energy: -143.788747
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -31.278
flat angles C4'-P-C4' energy: -22.719
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -35.875
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: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -447.419327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.419327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.577292 (E_RNA)
where:
Base-Base interactions energy: -324.148
where: short stacking energy: -140.855
Base-Backbone interact. energy: -0.470
local terms energy: -130.959756
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 8.158 (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: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -490.424902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.424902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.546277 (E_RNA)
where:
Base-Base interactions energy: -345.992
where: short stacking energy: -147.900
Base-Backbone interact. energy: -1.229
local terms energy: -143.325204
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -38.456
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -392.760021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.760021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.766893 (E_RNA)
where:
Base-Base interactions energy: -268.292
where: short stacking energy: -108.062
Base-Backbone interact. energy: -0.297
local terms energy: -128.178393
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -25.369
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -23.172
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: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -445.627360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.627360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.054677 (E_RNA)
where:
Base-Base interactions energy: -308.221
where: short stacking energy: -129.522
Base-Backbone interact. energy: -0.543
local terms energy: -137.290092
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -33.932
Dist. restrs. and SS energy: 0.427 (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: 11
Temperature: 1.200000
Total energy: -362.686424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.686424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.827838 (E_RNA)
where:
Base-Base interactions energy: -264.702
where: short stacking energy: -106.034
Base-Backbone interact. energy: 4.225
local terms energy: -104.350840
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -20.336
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: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -449.140089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.140089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.699315 (E_RNA)
where:
Base-Base interactions energy: -326.455
where: short stacking energy: -128.755
Base-Backbone interact. energy: 0.434
local terms energy: -126.678306
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 3.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -313.146063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.146063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.141454 (E_RNA)
where:
Base-Base interactions energy: -240.164
where: short stacking energy: -94.102
Base-Backbone interact. energy: 5.831
local terms energy: -94.808708
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 15.995 (S_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: 11
Temperature: 1.350000
Total energy: -339.302354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.302354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.825675 (E_RNA)
where:
Base-Base interactions energy: -243.283
where: short stacking energy: -84.793
Base-Backbone interact. energy: -1.641
local terms energy: -109.901464
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -26.288
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 15.523 (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: 12
Temperature: 0.900000
Total energy: -474.837361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.837361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.039455 (E_RNA)
where:
Base-Base interactions energy: -333.980
where: short stacking energy: -143.975
Base-Backbone interact. energy: -0.728
local terms energy: -143.331785
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -38.870
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: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -487.234362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.234362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.669690 (E_RNA)
where:
Base-Base interactions energy: -333.638
where: short stacking energy: -140.447
Base-Backbone interact. energy: 2.285
local terms energy: -156.317222
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -37.715
Dist. restrs. and SS energy: 0.435 (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: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -507.925889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.925889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.014625 (E_RNA)
where:
Base-Base interactions energy: -362.550
where: short stacking energy: -150.445
Base-Backbone interact. energy: 1.811
local terms energy: -147.275352
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -32.041
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: -40.569
Dist. restrs. and SS energy: 0.089 (S_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: 12
Temperature: 1.050000
Total energy: -443.482121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.482121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.040328 (E_RNA)
where:
Base-Base interactions energy: -314.782
where: short stacking energy: -120.900
Base-Backbone interact. energy: -0.607
local terms energy: -135.652050
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -33.744
Dist. restrs. and SS energy: 7.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -472.539856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.539856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.738541 (E_RNA)
where:
Base-Base interactions energy: -329.823
where: short stacking energy: -121.567
Base-Backbone interact. energy: -0.284
local terms energy: -142.631227
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -376.345871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.345871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.931962 (E_RNA)
where:
Base-Base interactions energy: -262.398
where: short stacking energy: -117.893
Base-Backbone interact. energy: 0.435
local terms energy: -122.969078
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: 8.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -443.611143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.611143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.852284 (E_RNA)
where:
Base-Base interactions energy: -315.186
where: short stacking energy: -116.067
Base-Backbone interact. energy: -0.697
local terms energy: -127.968694
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -30.321
Dist. restrs. and SS energy: 0.241 (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: 12
Temperature: 1.250000
Total energy: -351.422063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.422063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.653786 (E_RNA)
where:
Base-Base interactions energy: -241.202
where: short stacking energy: -90.068
Base-Backbone interact. energy: -0.652
local terms energy: -117.800445
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -21.334
tors. eta vs tors. theta energy: -27.009
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: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -352.923062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.923062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.379491 (E_RNA)
where:
Base-Base interactions energy: -253.916
where: short stacking energy: -95.530
Base-Backbone interact. energy: 1.481
local terms energy: -112.943991
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -25.615
Dist. restrs. and SS energy: 12.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -278.195157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.195157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.022466 (E_RNA)
where:
Base-Base interactions energy: -188.462
where: short stacking energy: -76.031
Base-Backbone interact. energy: -1.751
local terms energy: -100.809467
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 12.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -482.938043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.938043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.252664 (E_RNA)
where:
Base-Base interactions energy: -345.223
where: short stacking energy: -147.326
Base-Backbone interact. energy: -0.413
local terms energy: -137.617151
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -36.419
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -513.356420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.356420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.647071 (E_RNA)
where:
Base-Base interactions energy: -365.556
where: short stacking energy: -150.699
Base-Backbone interact. energy: 1.443
local terms energy: -149.534190
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -29.538
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -43.805
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -489.674878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.674878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.167761 (E_RNA)
where:
Base-Base interactions energy: -342.944
where: short stacking energy: -145.403
Base-Backbone interact. energy: -1.195
local terms energy: -146.028958
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -35.762
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -488.183843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.183843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.429766 (E_RNA)
where:
Base-Base interactions energy: -352.799
where: short stacking energy: -141.006
Base-Backbone interact. energy: -0.553
local terms energy: -135.078312
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -37.109
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -426.824792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.824792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.075128 (E_RNA)
where:
Base-Base interactions energy: -305.067
where: short stacking energy: -126.137
Base-Backbone interact. energy: -0.846
local terms energy: -128.161601
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -33.015
Dist. restrs. and SS energy: 7.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -475.435563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.435563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.493362 (E_RNA)
where:
Base-Base interactions energy: -339.874
where: short stacking energy: -133.258
Base-Backbone interact. energy: -1.548
local terms energy: -134.071788
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.058 (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: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -352.645096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.645096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.366614 (E_RNA)
where:
Base-Base interactions energy: -240.147
where: short stacking energy: -99.800
Base-Backbone interact. energy: 2.314
local terms energy: -118.533742
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 3.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -343.551366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.551366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.776924 (E_RNA)
where:
Base-Base interactions energy: -243.723
where: short stacking energy: -94.822
Base-Backbone interact. energy: -1.237
local terms energy: -110.817004
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 12.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -333.674797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.674797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.575409 (E_RNA)
where:
Base-Base interactions energy: -232.301
where: short stacking energy: -87.588
Base-Backbone interact. energy: 0.933
local terms energy: -107.207348
where:
bonds (distance) C4'-P energy: -29.858
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -19.446
Dist. restrs. and SS energy: 4.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -250.246609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.246609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.406340 (E_RNA)
where:
Base-Base interactions energy: -168.312
where: short stacking energy: -79.014
Base-Backbone interact. energy: 0.892
local terms energy: -102.986292
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 20.160 (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: 10
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -529.217863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.217863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.498221 (E_RNA)
where:
Base-Base interactions energy: -381.235
where: short stacking energy: -161.062
Base-Backbone interact. energy: 1.357
local terms energy: -149.620053
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.280 (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: 14
Temperature: 0.950000
Total energy: -456.743488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.743488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.877420 (E_RNA)
where:
Base-Base interactions energy: -323.139
where: short stacking energy: -130.849
Base-Backbone interact. energy: -0.506
local terms energy: -134.232486
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -31.206
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: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -487.145883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.145883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.337838 (E_RNA)
where:
Base-Base interactions energy: -346.219
where: short stacking energy: -141.500
Base-Backbone interact. energy: -0.324
local terms energy: -140.795157
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.192 (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: 8
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -498.167703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.167703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.829566 (E_RNA)
where:
Base-Base interactions energy: -342.630
where: short stacking energy: -146.286
Base-Backbone interact. energy: 1.112
local terms energy: -157.311512
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -502.692465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.692465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.948621 (E_RNA)
where:
Base-Base interactions energy: -351.120
where: short stacking energy: -147.022
Base-Backbone interact. energy: -0.955
local terms energy: -150.873495
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -40.693
Dist. restrs. and SS energy: 0.256 (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: 14
Temperature: 1.150000
Total energy: -414.134141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.134141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.195628 (E_RNA)
where:
Base-Base interactions energy: -288.039
where: short stacking energy: -113.648
Base-Backbone interact. energy: -1.932
local terms energy: -137.224267
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -31.245
Dist. restrs. and SS energy: 13.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -385.078249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.078249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.239263 (E_RNA)
where:
Base-Base interactions energy: -269.827
where: short stacking energy: -106.288
Base-Backbone interact. energy: 0.546
local terms energy: -119.957817
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -26.345
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: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -375.284155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.284155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.791512 (E_RNA)
where:
Base-Base interactions energy: -263.246
where: short stacking energy: -110.416
Base-Backbone interact. energy: -0.995
local terms energy: -119.550215
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -26.107
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -28.476
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: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -341.577320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.577320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.126415 (E_RNA)
where:
Base-Base interactions energy: -244.043
where: short stacking energy: -95.643
Base-Backbone interact. energy: -1.614
local terms energy: -101.469870
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -19.792
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: 1
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -276.213664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.213664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.896614 (E_RNA)
where:
Base-Base interactions energy: -196.242
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.866
local terms energy: -92.788503
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -23.609
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 13.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -533.966037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.966037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.080078 (E_RNA)
where:
Base-Base interactions energy: -374.689
where: short stacking energy: -147.052
Base-Backbone interact. energy: -0.314
local terms energy: -159.076865
where:
bonds (distance) C4'-P energy: -30.664
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -39.357
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -505.973610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.973610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.415422 (E_RNA)
where:
Base-Base interactions energy: -365.541
where: short stacking energy: -141.316
Base-Backbone interact. energy: -0.826
local terms energy: -140.049197
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -31.403
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -34.858
Dist. restrs. and SS energy: 0.442 (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: 15
Temperature: 1.000000
Total energy: -445.231993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.231993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.383942 (E_RNA)
where:
Base-Base interactions energy: -313.589
where: short stacking energy: -122.746
Base-Backbone interact. energy: 0.646
local terms energy: -133.441120
where:
bonds (distance) C4'-P energy: -28.587
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -516.104981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.104981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.305222 (E_RNA)
where:
Base-Base interactions energy: -371.594
where: short stacking energy: -155.980
Base-Backbone interact. energy: -1.286
local terms energy: -143.425002
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -22.830
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -38.780
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -462.018134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.018134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.214492 (E_RNA)
where:
Base-Base interactions energy: -326.913
where: short stacking energy: -130.801
Base-Backbone interact. energy: 0.872
local terms energy: -136.173838
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -424.024861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.024861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.117180 (E_RNA)
where:
Base-Base interactions energy: -299.807
where: short stacking energy: -125.313
Base-Backbone interact. energy: -0.649
local terms energy: -131.661372
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -30.582
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -28.463
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: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -376.068313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.068313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.537326 (E_RNA)
where:
Base-Base interactions energy: -259.267
where: short stacking energy: -99.218
Base-Backbone interact. energy: 0.640
local terms energy: -125.910041
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 8.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -325.657250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.657250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.668760 (E_RNA)
where:
Base-Base interactions energy: -210.127
where: short stacking energy: -79.485
Base-Backbone interact. energy: 4.505
local terms energy: -123.047286
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -19.408
tors. eta vs tors. theta energy: -19.930
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: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -353.130474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.130474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.854704 (E_RNA)
where:
Base-Base interactions energy: -245.505
where: short stacking energy: -105.572
Base-Backbone interact. energy: 0.800
local terms energy: -115.149794
where:
bonds (distance) C4'-P energy: -24.915
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 6.724 (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: 1
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -252.435737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.435737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.390142 (E_RNA)
where:
Base-Base interactions energy: -181.913
where: short stacking energy: -67.849
Base-Backbone interact. energy: 1.109
local terms energy: -100.585656
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -24.823
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 28.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -511.557385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.557385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.817188 (E_RNA)
where:
Base-Base interactions energy: -367.461
where: short stacking energy: -146.134
Base-Backbone interact. energy: -0.786
local terms energy: -143.570021
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -34.348
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -519.979462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.979462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.120224 (E_RNA)
where:
Base-Base interactions energy: -368.108
where: short stacking energy: -152.094
Base-Backbone interact. energy: -0.438
local terms energy: -151.574036
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -27.709
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -34.101
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -520.697356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.697356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.017400 (E_RNA)
where:
Base-Base interactions energy: -369.279
where: short stacking energy: -147.763
Base-Backbone interact. energy: -0.379
local terms energy: -151.358766
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -30.698
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -37.901
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -443.613190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.613190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.000211 (E_RNA)
where:
Base-Base interactions energy: -300.414
where: short stacking energy: -130.579
Base-Backbone interact. energy: 2.808
local terms energy: -149.393561
where:
bonds (distance) C4'-P energy: -31.895
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -32.622
Dist. restrs. and SS energy: 3.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -465.985849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.985849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.167025 (E_RNA)
where:
Base-Base interactions energy: -332.732
where: short stacking energy: -136.843
Base-Backbone interact. energy: -1.263
local terms energy: -132.171884
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -33.877
Dist. restrs. and SS energy: 0.181 (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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -433.185086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.185086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.658274 (E_RNA)
where:
Base-Base interactions energy: -302.918
where: short stacking energy: -95.904
Base-Backbone interact. energy: 0.748
local terms energy: -135.488266
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -27.613
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -372.542335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.542335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.217910 (E_RNA)
where:
Base-Base interactions energy: -259.707
where: short stacking energy: -109.609
Base-Backbone interact. energy: 0.524
local terms energy: -120.035146
where:
bonds (distance) C4'-P energy: -23.971
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 6.676 (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: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -366.267056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.267056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.348504 (E_RNA)
where:
Base-Base interactions energy: -262.207
where: short stacking energy: -106.566
Base-Backbone interact. energy: -0.057
local terms energy: -111.084259
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 7.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -364.638711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.638711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.712833 (E_RNA)
where:
Base-Base interactions energy: -262.855
where: short stacking energy: -108.653
Base-Backbone interact. energy: 1.668
local terms energy: -108.526263
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -22.247
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: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -271.288293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.288293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.735621 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -76.061
Base-Backbone interact. energy: -0.043
local terms energy: -103.886324
where:
bonds (distance) C4'-P energy: -27.197
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 10.447 (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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -521.616031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.616031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.765106 (E_RNA)
where:
Base-Base interactions energy: -372.373
where: short stacking energy: -152.794
Base-Backbone interact. energy: 0.112
local terms energy: -149.504681
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -34.397
Dist. restrs. and SS energy: 0.149 (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: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -524.648160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.648160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.776028 (E_RNA)
where:
Base-Base interactions energy: -381.171
where: short stacking energy: -158.999
Base-Backbone interact. energy: 0.110
local terms energy: -143.714408
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -39.692
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -501.969736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.969736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.242232 (E_RNA)
where:
Base-Base interactions energy: -360.701
where: short stacking energy: -129.612
Base-Backbone interact. energy: 0.625
local terms energy: -142.166235
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -25.530
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -39.799
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -481.413556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.413556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.513343 (E_RNA)
where:
Base-Base interactions energy: -344.381
where: short stacking energy: -138.456
Base-Backbone interact. energy: -0.642
local terms energy: -136.489902
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -28.402
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -37.057
Dist. restrs. and SS energy: 0.100 (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: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -443.160129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.160129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.293050 (E_RNA)
where:
Base-Base interactions energy: -318.699
where: short stacking energy: -134.226
Base-Backbone interact. energy: -0.065
local terms energy: -125.529056
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -36.424
Dist. restrs. and SS energy: 1.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -428.011826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.011826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.126918 (E_RNA)
where:
Base-Base interactions energy: -314.825
where: short stacking energy: -119.025
Base-Backbone interact. energy: 0.287
local terms energy: -119.589560
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -26.395
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -31.239
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: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -371.338604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.338604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.029540 (E_RNA)
where:
Base-Base interactions energy: -264.949
where: short stacking energy: -101.828
Base-Backbone interact. energy: 0.139
local terms energy: -111.220004
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -19.652
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: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -355.172140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.172140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.886563 (E_RNA)
where:
Base-Base interactions energy: -254.628
where: short stacking energy: -99.329
Base-Backbone interact. energy: -0.897
local terms energy: -107.361423
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 7.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -348.024878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.024878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.832347 (E_RNA)
where:
Base-Base interactions energy: -236.084
where: short stacking energy: -96.839
Base-Backbone interact. energy: -1.128
local terms energy: -113.620731
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -250.290035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.290035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.453104 (E_RNA)
where:
Base-Base interactions energy: -180.677
where: short stacking energy: -55.730
Base-Backbone interact. energy: 0.246
local terms energy: -84.021961
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 14.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -529.992065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.992065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.226468 (E_RNA)
where:
Base-Base interactions energy: -385.446
where: short stacking energy: -155.355
Base-Backbone interact. energy: 0.284
local terms energy: -145.064504
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -531.153802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.153802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.448798 (E_RNA)
where:
Base-Base interactions energy: -379.311
where: short stacking energy: -151.478
Base-Backbone interact. energy: 0.016
local terms energy: -152.153113
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -36.494
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -37.126
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -515.936247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.936247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.831500 (E_RNA)
where:
Base-Base interactions energy: -364.736
where: short stacking energy: -151.532
Base-Backbone interact. energy: 2.188
local terms energy: -154.283261
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -39.702
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -476.532227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.532227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.631119 (E_RNA)
where:
Base-Base interactions energy: -344.297
where: short stacking energy: -150.903
Base-Backbone interact. energy: -0.135
local terms energy: -132.199196
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -31.758
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -35.652
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -419.494573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.494573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.655028 (E_RNA)
where:
Base-Base interactions energy: -292.004
where: short stacking energy: -120.949
Base-Backbone interact. energy: 0.819
local terms energy: -138.470574
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 10.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -420.592356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.592356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.841683 (E_RNA)
where:
Base-Base interactions energy: -295.881
where: short stacking energy: -118.321
Base-Backbone interact. energy: -0.339
local terms energy: -126.621356
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -31.043
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -394.373848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.373848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.650057 (E_RNA)
where:
Base-Base interactions energy: -280.741
where: short stacking energy: -120.984
Base-Backbone interact. energy: -0.943
local terms energy: -119.966192
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 7.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -371.773491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.773491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.590057 (E_RNA)
where:
Base-Base interactions energy: -257.461
where: short stacking energy: -103.442
Base-Backbone interact. energy: 0.863
local terms energy: -122.992515
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 7.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -366.822958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.822958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.526749 (E_RNA)
where:
Base-Base interactions energy: -239.903
where: short stacking energy: -110.209
Base-Backbone interact. energy: -1.072
local terms energy: -133.551613
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -25.523
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 7.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -260.118809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.118809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.822856 (E_RNA)
where:
Base-Base interactions energy: -199.706
where: short stacking energy: -78.654
Base-Backbone interact. energy: 1.745
local terms energy: -80.861885
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 18.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -531.161689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.161689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.554273 (E_RNA)
where:
Base-Base interactions energy: -382.597
where: short stacking energy: -166.769
Base-Backbone interact. energy: -0.634
local terms energy: -148.323273
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -43.129
Dist. restrs. and SS energy: 0.393 (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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -530.643680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.643680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.017122 (E_RNA)
where:
Base-Base interactions energy: -381.370
where: short stacking energy: -142.629
Base-Backbone interact. energy: -0.709
local terms energy: -148.937243
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -31.190
flat angles C4'-P-C4' energy: -30.579
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -36.275
Dist. restrs. and SS energy: 0.373 (S_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: 19
Temperature: 1.000000
Total energy: -500.438698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.438698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.725903 (E_RNA)
where:
Base-Base interactions energy: -350.309
where: short stacking energy: -141.300
Base-Backbone interact. energy: -2.913
local terms energy: -147.504047
where:
bonds (distance) C4'-P energy: -29.051
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -37.768
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -483.941234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.941234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.974605 (E_RNA)
where:
Base-Base interactions energy: -339.758
where: short stacking energy: -140.144
Base-Backbone interact. energy: -0.489
local terms energy: -143.727979
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -36.367
Dist. restrs. and SS energy: 0.033 (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: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -426.890404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.890404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.151504 (E_RNA)
where:
Base-Base interactions energy: -301.702
where: short stacking energy: -113.077
Base-Backbone interact. energy: -0.183
local terms energy: -130.266567
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -32.482
Dist. restrs. and SS energy: 5.261 (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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -406.006785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.006785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.230073 (E_RNA)
where:
Base-Base interactions energy: -296.806
where: short stacking energy: -111.628
Base-Backbone interact. energy: 3.133
local terms energy: -116.557250
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 4.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -389.970675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.970675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.455849 (E_RNA)
where:
Base-Base interactions energy: -267.023
where: short stacking energy: -104.608
Base-Backbone interact. energy: 1.816
local terms energy: -128.248926
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -28.533
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 3.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -387.965778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.965778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.649624 (E_RNA)
where:
Base-Base interactions energy: -262.351
where: short stacking energy: -111.911
Base-Backbone interact. energy: -1.561
local terms energy: -127.738223
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -24.791
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: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -346.274674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.274674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.458439 (E_RNA)
where:
Base-Base interactions energy: -245.047
where: short stacking energy: -98.176
Base-Backbone interact. energy: -0.370
local terms energy: -112.041166
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 11.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -257.996929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.996929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.469345 (E_RNA)
where:
Base-Base interactions energy: -168.493
where: short stacking energy: -75.150
Base-Backbone interact. energy: 0.121
local terms energy: -98.097676
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 8.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -533.728815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.728815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.893705 (E_RNA)
where:
Base-Base interactions energy: -377.077
where: short stacking energy: -155.042
Base-Backbone interact. energy: 0.191
local terms energy: -157.007800
where:
bonds (distance) C4'-P energy: -30.507
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -518.351960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.351960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.488963 (E_RNA)
where:
Base-Base interactions energy: -372.578
where: short stacking energy: -154.219
Base-Backbone interact. energy: 1.503
local terms energy: -147.413543
where:
bonds (distance) C4'-P energy: -32.761
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -510.561021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.561021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.745686 (E_RNA)
where:
Base-Base interactions energy: -367.120
where: short stacking energy: -147.735
Base-Backbone interact. energy: 0.658
local terms energy: -144.284040
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -28.674
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -39.738
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -486.754417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.754417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.901258 (E_RNA)
where:
Base-Base interactions energy: -340.372
where: short stacking energy: -144.022
Base-Backbone interact. energy: -0.090
local terms energy: -146.438857
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -26.437
flat angles C4'-P-C4' energy: -33.993
flat angles P-C4'-P energy: -20.274
tors. eta vs tors. theta energy: -37.429
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -423.708587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.708587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.132311 (E_RNA)
where:
Base-Base interactions energy: -313.886
where: short stacking energy: -119.288
Base-Backbone interact. energy: -0.433
local terms energy: -114.813990
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 5.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -399.026406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.026406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.289637 (E_RNA)
where:
Base-Base interactions energy: -281.573
where: short stacking energy: -108.502
Base-Backbone interact. energy: -1.323
local terms energy: -121.393514
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -18.530
tors. eta vs tors. theta energy: -30.973
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -412.054471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.054471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.592958 (E_RNA)
where:
Base-Base interactions energy: -307.271
where: short stacking energy: -125.377
Base-Backbone interact. energy: 1.188
local terms energy: -106.510438
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -22.594
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -381.322161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.322161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.347602 (E_RNA)
where:
Base-Base interactions energy: -254.658
where: short stacking energy: -112.170
Base-Backbone interact. energy: -0.837
local terms energy: -128.852764
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 3.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -354.076669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.076669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.304750 (E_RNA)
where:
Base-Base interactions energy: -258.594
where: short stacking energy: -113.629
Base-Backbone interact. energy: 4.940
local terms energy: -109.650820
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 9.228 (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: 20
Temperature: 1.350000
Total energy: -272.068277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.068277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.347131 (E_RNA)
where:
Base-Base interactions energy: -175.030
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.483
local terms energy: -108.833987
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 12.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -535.162396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.162396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.191652 (E_RNA)
where:
Base-Base interactions energy: -375.637
where: short stacking energy: -142.292
Base-Backbone interact. energy: -0.682
local terms energy: -158.872938
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -38.075
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -526.372631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.372631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.487575 (E_RNA)
where:
Base-Base interactions energy: -368.238
where: short stacking energy: -155.051
Base-Backbone interact. energy: -0.299
local terms energy: -157.950343
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -32.558
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.115 (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: 21
Temperature: 1.000000
Total energy: -507.922134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.922134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.183750 (E_RNA)
where:
Base-Base interactions energy: -366.388
where: short stacking energy: -150.244
Base-Backbone interact. energy: -0.436
local terms energy: -141.358979
where:
bonds (distance) C4'-P energy: -27.221
bonds (distance) P-C4' energy: -30.663
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -36.703
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -468.887014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.887014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.737513 (E_RNA)
where:
Base-Base interactions energy: -329.176
where: short stacking energy: -127.085
Base-Backbone interact. energy: -0.859
local terms energy: -139.702232
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -24.578
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -37.543
Dist. restrs. and SS energy: 0.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -406.407889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.407889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.728600 (E_RNA)
where:
Base-Base interactions energy: -285.222
where: short stacking energy: -112.461
Base-Backbone interact. energy: -2.010
local terms energy: -134.496230
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 15.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -423.909788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.909788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.439140 (E_RNA)
where:
Base-Base interactions energy: -301.302
where: short stacking energy: -122.845
Base-Backbone interact. energy: 0.713
local terms energy: -123.850588
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -27.399
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -25.104
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: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -377.641824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.641824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.984324 (E_RNA)
where:
Base-Base interactions energy: -267.614
where: short stacking energy: -97.691
Base-Backbone interact. energy: -1.200
local terms energy: -116.170777
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -23.272
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: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -340.010479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.010479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.534633 (E_RNA)
where:
Base-Base interactions energy: -241.008
where: short stacking energy: -94.878
Base-Backbone interact. energy: -1.159
local terms energy: -105.367594
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -20.905
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: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -351.786675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.786675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.895160 (E_RNA)
where:
Base-Base interactions energy: -244.340
where: short stacking energy: -108.518
Base-Backbone interact. energy: -0.380
local terms energy: -111.174850
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -22.788
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: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -295.250408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.250408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.398340 (E_RNA)
where:
Base-Base interactions energy: -187.594
where: short stacking energy: -80.878
Base-Backbone interact. energy: -0.244
local terms energy: -116.560242
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -26.493
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -14.364
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: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -532.203608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.203608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.328738 (E_RNA)
where:
Base-Base interactions energy: -375.893
where: short stacking energy: -154.707
Base-Backbone interact. energy: -0.464
local terms energy: -155.971800
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -41.105
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -529.593890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.775837 (E_RNA)
where:
Base-Base interactions energy: -370.785
where: short stacking energy: -156.109
Base-Backbone interact. energy: -0.175
local terms energy: -158.816613
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -40.465
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -489.409650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.409650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.518932 (E_RNA)
where:
Base-Base interactions energy: -349.041
where: short stacking energy: -141.602
Base-Backbone interact. energy: 1.239
local terms energy: -141.715981
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -28.805
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -37.049
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -495.110472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.110472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.188035 (E_RNA)
where:
Base-Base interactions energy: -363.516
where: short stacking energy: -149.572
Base-Backbone interact. energy: -2.202
local terms energy: -129.470315
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -30.873
Dist. restrs. and SS energy: 0.078 (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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -441.320332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.320332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.572538 (E_RNA)
where:
Base-Base interactions energy: -311.804
where: short stacking energy: -120.231
Base-Backbone interact. energy: 1.945
local terms energy: -131.713380
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -29.186
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -29.996
Dist. restrs. and SS energy: 0.252 (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: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -424.182712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.182712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.544245 (E_RNA)
where:
Base-Base interactions energy: -318.241
where: short stacking energy: -123.830
Base-Backbone interact. energy: 8.942
local terms energy: -123.244863
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 8.362 (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: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -388.625686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.625686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.813273 (E_RNA)
where:
Base-Base interactions energy: -284.393
where: short stacking energy: -114.761
Base-Backbone interact. energy: 1.959
local terms energy: -109.378819
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -29.623
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -350.839678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.839678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.514883 (E_RNA)
where:
Base-Base interactions energy: -257.748
where: short stacking energy: -98.928
Base-Backbone interact. energy: -0.950
local terms energy: -100.816949
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 8.675 (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: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -353.215435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.215435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.272829 (E_RNA)
where:
Base-Base interactions energy: -250.512
where: short stacking energy: -97.112
Base-Backbone interact. energy: -0.819
local terms energy: -109.941865
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -25.922
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 8.057 (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: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -372.245661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.245661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.198215 (E_RNA)
where:
Base-Base interactions energy: -263.322
where: short stacking energy: -111.495
Base-Backbone interact. energy: -0.533
local terms energy: -112.343043
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: 3.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -540.622278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.622278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.685869 (E_RNA)
where:
Base-Base interactions energy: -389.876
where: short stacking energy: -163.489
Base-Backbone interact. energy: -0.392
local terms energy: -150.418127
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -40.969
Dist. restrs. and SS energy: 0.064 (S_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: -535.868502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.868502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.962112 (E_RNA)
where:
Base-Base interactions energy: -393.773
where: short stacking energy: -156.321
Base-Backbone interact. energy: 0.613
local terms energy: -142.801881
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -30.190
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.094 (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: 23
Temperature: 1.000000
Total energy: -511.129007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.129007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.261294 (E_RNA)
where:
Base-Base interactions energy: -353.937
where: short stacking energy: -152.608
Base-Backbone interact. energy: 0.113
local terms energy: -157.437260
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -35.578
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -37.907
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -486.931765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.931765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.077752 (E_RNA)
where:
Base-Base interactions energy: -357.153
where: short stacking energy: -139.412
Base-Backbone interact. energy: -0.748
local terms energy: -129.177208
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: -30.967
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -455.103853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.103853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.190921 (E_RNA)
where:
Base-Base interactions energy: -322.267
where: short stacking energy: -126.044
Base-Backbone interact. energy: 1.535
local terms energy: -134.458221
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.087 (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: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -421.341690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.341690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.407430 (E_RNA)
where:
Base-Base interactions energy: -288.176
where: short stacking energy: -118.573
Base-Backbone interact. energy: -0.508
local terms energy: -141.723405
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -31.370
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 9.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -364.772432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.772432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.362309 (E_RNA)
where:
Base-Base interactions energy: -255.025
where: short stacking energy: -100.111
Base-Backbone interact. energy: -0.484
local terms energy: -111.853588
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -363.591783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.591783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.938193 (E_RNA)
where:
Base-Base interactions energy: -264.497
where: short stacking energy: -115.447
Base-Backbone interact. energy: -0.732
local terms energy: -110.709075
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -28.405
Dist. restrs. and SS energy: 12.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -363.527956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.527956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.720047 (E_RNA)
where:
Base-Base interactions energy: -271.956
where: short stacking energy: -100.441
Base-Backbone interact. energy: 1.044
local terms energy: -100.808515
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -23.404
Dist. restrs. and SS energy: 8.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -348.898654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.898654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.681422 (E_RNA)
where:
Base-Base interactions energy: -242.556
where: short stacking energy: -96.498
Base-Backbone interact. energy: 5.049
local terms energy: -113.174041
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -27.367
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -31.237
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -544.181213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.181213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.315540 (E_RNA)
where:
Base-Base interactions energy: -374.432
where: short stacking energy: -155.217
Base-Backbone interact. energy: -0.260
local terms energy: -169.624196
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -37.535
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -43.143
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -521.899136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.899136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.032230 (E_RNA)
where:
Base-Base interactions energy: -365.237
where: short stacking energy: -150.977
Base-Backbone interact. energy: -1.598
local terms energy: -155.197529
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -34.221
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -38.665
Dist. restrs. and SS energy: 0.133 (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: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -484.355505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.355505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.718611 (E_RNA)
where:
Base-Base interactions energy: -331.817
where: short stacking energy: -140.111
Base-Backbone interact. energy: -1.627
local terms energy: -151.274288
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -35.772
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -484.606760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.606760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.714052 (E_RNA)
where:
Base-Base interactions energy: -356.076
where: short stacking energy: -144.082
Base-Backbone interact. energy: -0.662
local terms energy: -127.975678
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -37.909
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -457.568730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.568730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.982791 (E_RNA)
where:
Base-Base interactions energy: -321.707
where: short stacking energy: -143.685
Base-Backbone interact. energy: 0.094
local terms energy: -136.370360
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.414 (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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -414.353339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.353339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.741560 (E_RNA)
where:
Base-Base interactions energy: -283.373
where: short stacking energy: -108.661
Base-Backbone interact. energy: -1.761
local terms energy: -136.607694
where:
bonds (distance) C4'-P energy: -29.374
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 7.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -383.928321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.928321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.498802 (E_RNA)
where:
Base-Base interactions energy: -265.050
where: short stacking energy: -98.837
Base-Backbone interact. energy: 0.169
local terms energy: -122.617905
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -23.379
tors. eta vs tors. theta energy: -22.503
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: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -346.852224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.852224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.753272 (E_RNA)
where:
Base-Base interactions energy: -241.313
where: short stacking energy: -101.968
Base-Backbone interact. energy: -1.385
local terms energy: -124.054664
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -29.988
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -27.492
Dist. restrs. and SS energy: 19.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -374.850402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.850402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.170465 (E_RNA)
where:
Base-Base interactions energy: -266.100
where: short stacking energy: -107.430
Base-Backbone interact. energy: 0.152
local terms energy: -112.222367
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -25.069
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: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -344.601837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.601837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.306982 (E_RNA)
where:
Base-Base interactions energy: -238.984
where: short stacking energy: -91.077
Base-Backbone interact. energy: 3.065
local terms energy: -115.388373
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -25.265
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 6.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -527.580492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.580492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.782031 (E_RNA)
where:
Base-Base interactions energy: -369.441
where: short stacking energy: -152.422
Base-Backbone interact. energy: -0.526
local terms energy: -157.815333
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -37.458
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -535.918773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.918773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.239721 (E_RNA)
where:
Base-Base interactions energy: -373.055
where: short stacking energy: -157.190
Base-Backbone interact. energy: 0.947
local terms energy: -164.131926
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -44.058
Dist. restrs. and SS energy: 0.321 (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: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -487.025419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.025419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.473436 (E_RNA)
where:
Base-Base interactions energy: -336.863
where: short stacking energy: -137.451
Base-Backbone interact. energy: -1.861
local terms energy: -148.749006
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -35.054
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: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -458.452334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.452334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.779054 (E_RNA)
where:
Base-Base interactions energy: -321.326
where: short stacking energy: -128.032
Base-Backbone interact. energy: 0.010
local terms energy: -137.462894
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -37.482
Dist. restrs. and SS energy: 0.327 (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: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -463.894608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.894608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.964155 (E_RNA)
where:
Base-Base interactions energy: -329.058
where: short stacking energy: -123.368
Base-Backbone interact. energy: -0.212
local terms energy: -134.694467
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -32.066
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -395.568269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.568269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.764972 (E_RNA)
where:
Base-Base interactions energy: -277.145
where: short stacking energy: -110.400
Base-Backbone interact. energy: -0.352
local terms energy: -122.268838
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -32.514
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -394.512434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.512434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.667570 (E_RNA)
where:
Base-Base interactions energy: -291.178
where: short stacking energy: -104.529
Base-Backbone interact. energy: 0.633
local terms energy: -112.122725
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -19.521
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 8.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -389.506075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.506075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.399396 (E_RNA)
where:
Base-Base interactions energy: -265.605
where: short stacking energy: -116.979
Base-Backbone interact. energy: 0.340
local terms energy: -127.133558
where:
bonds (distance) C4'-P energy: -26.187
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -27.457
Dist. restrs. and SS energy: 2.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -336.802287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.802287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.969253 (E_RNA)
where:
Base-Base interactions energy: -246.739
where: short stacking energy: -101.404
Base-Backbone interact. energy: 1.678
local terms energy: -101.908359
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 10.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -336.061173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.061173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.993580 (E_RNA)
where:
Base-Base interactions energy: -243.684
where: short stacking energy: -97.104
Base-Backbone interact. energy: -0.767
local terms energy: -97.543103
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 5.932 (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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -523.438661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.438661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.576165 (E_RNA)
where:
Base-Base interactions energy: -370.042
where: short stacking energy: -154.407
Base-Backbone interact. energy: -2.620
local terms energy: -150.913605
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -533.304473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.304473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.618377 (E_RNA)
where:
Base-Base interactions energy: -376.952
where: short stacking energy: -158.438
Base-Backbone interact. energy: -0.197
local terms energy: -156.468932
where:
bonds (distance) C4'-P energy: -25.491
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -42.447
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -479.200556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.200556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.547303 (E_RNA)
where:
Base-Base interactions energy: -329.874
where: short stacking energy: -137.771
Base-Backbone interact. energy: -0.370
local terms energy: -149.303507
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -32.760
flat angles C4'-P-C4' energy: -32.002
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -36.217
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -485.592281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.592281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.858191 (E_RNA)
where:
Base-Base interactions energy: -339.530
where: short stacking energy: -138.461
Base-Backbone interact. energy: -0.767
local terms energy: -145.560938
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.266 (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: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -467.005195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.005195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.239015 (E_RNA)
where:
Base-Base interactions energy: -336.491
where: short stacking energy: -125.187
Base-Backbone interact. energy: -0.599
local terms energy: -130.148794
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -400.501761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.501761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.058483 (E_RNA)
where:
Base-Base interactions energy: -281.536
where: short stacking energy: -114.147
Base-Backbone interact. energy: -1.579
local terms energy: -122.943685
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -26.087
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: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -426.997632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.997632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.444305 (E_RNA)
where:
Base-Base interactions energy: -298.372
where: short stacking energy: -124.378
Base-Backbone interact. energy: 1.220
local terms energy: -137.292438
where:
bonds (distance) C4'-P energy: -27.207
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -28.783
Dist. restrs. and SS energy: 7.447 (S_DIST_RNA)
chem. 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: -391.609436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.609436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.652102 (E_RNA)
where:
Base-Base interactions energy: -274.935
where: short stacking energy: -116.977
Base-Backbone interact. energy: 2.210
local terms energy: -122.927102
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -25.209
flat angles P-C4'-P energy: -18.399
tors. eta vs tors. theta energy: -30.323
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: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -369.540651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.540651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.200381 (E_RNA)
where:
Base-Base interactions energy: -262.279
where: short stacking energy: -89.062
Base-Backbone interact. energy: -0.376
local terms energy: -111.545931
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -26.263
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -20.632
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: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -315.365298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.365298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.520042 (E_RNA)
where:
Base-Base interactions energy: -219.918
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.818
local terms energy: -104.784144
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 10.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -534.876037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.876037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.942687 (E_RNA)
where:
Base-Base interactions energy: -375.497
where: short stacking energy: -147.446
Base-Backbone interact. energy: -1.208
local terms energy: -158.237874
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -32.715
flat angles P-C4'-P energy: -21.745
tors. eta vs tors. theta energy: -37.011
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -524.794165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.794165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.221670 (E_RNA)
where:
Base-Base interactions energy: -360.841
where: short stacking energy: -153.675
Base-Backbone interact. energy: -0.387
local terms energy: -163.993684
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -44.733
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: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -497.833354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.833354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.128953 (E_RNA)
where:
Base-Base interactions energy: -350.969
where: short stacking energy: -139.397
Base-Backbone interact. energy: -0.089
local terms energy: -147.070646
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -479.327175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.327175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.487584 (E_RNA)
where:
Base-Base interactions energy: -340.783
where: short stacking energy: -137.636
Base-Backbone interact. energy: 0.014
local terms energy: -138.718937
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -31.483
Dist. restrs. and SS energy: 0.160 (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: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -487.834843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.834843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.874194 (E_RNA)
where:
Base-Base interactions energy: -341.362
where: short stacking energy: -129.240
Base-Backbone interact. energy: -0.812
local terms energy: -145.699694
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -30.726
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -34.643
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -410.662784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.662784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.259048 (E_RNA)
where:
Base-Base interactions energy: -296.940
where: short stacking energy: -118.936
Base-Backbone interact. energy: -0.507
local terms energy: -122.812399
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 9.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -396.309705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.309705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.292165 (E_RNA)
where:
Base-Base interactions energy: -265.099
where: short stacking energy: -109.340
Base-Backbone interact. energy: -0.398
local terms energy: -133.795167
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -28.771
Dist. restrs. and SS energy: 2.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -390.948295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.948295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.374522 (E_RNA)
where:
Base-Base interactions energy: -277.216
where: short stacking energy: -117.740
Base-Backbone interact. energy: 3.253
local terms energy: -121.411038
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -24.057
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -21.788
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -356.723305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.723305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.303102 (E_RNA)
where:
Base-Base interactions energy: -250.488
where: short stacking energy: -98.890
Base-Backbone interact. energy: -0.785
local terms energy: -114.030139
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 8.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -309.414901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.414901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.312498 (E_RNA)
where:
Base-Base interactions energy: -205.577
where: short stacking energy: -71.359
Base-Backbone interact. energy: 1.277
local terms energy: -114.011936
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 8.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -535.082870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.082870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.082870 (E_RNA)
where:
Base-Base interactions energy: -381.711
where: short stacking energy: -168.065
Base-Backbone interact. energy: 1.608
local terms energy: -154.979976
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -33.275
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -526.798856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.798856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.898878 (E_RNA)
where:
Base-Base interactions energy: -364.344
where: short stacking energy: -148.404
Base-Backbone interact. energy: -0.412
local terms energy: -162.143243
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -36.866
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -38.330
Dist. restrs. and SS energy: 0.100 (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: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -528.568033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.568033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.901340 (E_RNA)
where:
Base-Base interactions energy: -377.689
where: short stacking energy: -153.192
Base-Backbone interact. energy: -0.400
local terms energy: -150.811992
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -35.327
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -38.466
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -482.657711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.657711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.192813 (E_RNA)
where:
Base-Base interactions energy: -345.001
where: short stacking energy: -127.945
Base-Backbone interact. energy: -0.494
local terms energy: -137.697284
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -481.435730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.641891 (E_RNA)
where:
Base-Base interactions energy: -349.254
where: short stacking energy: -142.282
Base-Backbone interact. energy: -2.080
local terms energy: -130.307314
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.206 (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: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -419.750148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.750148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.783252 (E_RNA)
where:
Base-Base interactions energy: -298.476
where: short stacking energy: -122.257
Base-Backbone interact. energy: -0.692
local terms energy: -129.615531
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -30.122
Dist. restrs. and SS energy: 9.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -411.864894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.864894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.599323 (E_RNA)
where:
Base-Base interactions energy: -284.444
where: short stacking energy: -119.458
Base-Backbone interact. energy: 1.860
local terms energy: -131.016058
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -35.326
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -346.481343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.481343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.114214 (E_RNA)
where:
Base-Base interactions energy: -244.182
where: short stacking energy: -101.552
Base-Backbone interact. energy: 1.119
local terms energy: -110.051339
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -32.756
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 6.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -319.898034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.898034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.812072 (E_RNA)
where:
Base-Base interactions energy: -227.081
where: short stacking energy: -87.636
Base-Backbone interact. energy: 1.295
local terms energy: -103.025996
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -23.469
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 8.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -330.300805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.300805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.198689 (E_RNA)
where:
Base-Base interactions energy: -241.841
where: short stacking energy: -93.969
Base-Backbone interact. energy: -1.956
local terms energy: -92.401929
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -29.096
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 5.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -529.173382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.173382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.366274 (E_RNA)
where:
Base-Base interactions energy: -375.847
where: short stacking energy: -161.947
Base-Backbone interact. energy: 0.135
local terms energy: -153.654643
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -29.469
flat angles P-C4'-P energy: -22.674
tors. eta vs tors. theta energy: -42.899
Dist. restrs. and SS energy: 0.193 (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: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -535.471394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.471394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.742051 (E_RNA)
where:
Base-Base interactions energy: -376.333
where: short stacking energy: -162.694
Base-Backbone interact. energy: -0.757
local terms energy: -158.651699
where:
bonds (distance) C4'-P energy: -23.607
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -34.790
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -41.272
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -522.560203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.560203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.895542 (E_RNA)
where:
Base-Base interactions energy: -367.663
where: short stacking energy: -141.461
Base-Backbone interact. energy: -0.794
local terms energy: -154.438061
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -36.238
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -506.445298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.445298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.664083 (E_RNA)
where:
Base-Base interactions energy: -363.009
where: short stacking energy: -149.252
Base-Backbone interact. energy: -0.626
local terms energy: -143.029624
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -41.917
Dist. restrs. and SS energy: 0.219 (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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -466.057562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.057562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.178825 (E_RNA)
where:
Base-Base interactions energy: -337.234
where: short stacking energy: -134.860
Base-Backbone interact. energy: -0.530
local terms energy: -128.414805
where:
bonds (distance) C4'-P energy: -28.303
bonds (distance) P-C4' energy: -28.830
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -31.485
Dist. restrs. and SS energy: 0.121 (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: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -441.054289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.054289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.452398 (E_RNA)
where:
Base-Base interactions energy: -320.603
where: short stacking energy: -122.838
Base-Backbone interact. energy: -0.895
local terms energy: -129.953969
where:
bonds (distance) C4'-P energy: -27.335
bonds (distance) P-C4' energy: -28.458
flat angles C4'-P-C4' energy: -24.952
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 10.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -393.804485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.804485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.628524 (E_RNA)
where:
Base-Base interactions energy: -269.238
where: short stacking energy: -111.856
Base-Backbone interact. energy: -2.959
local terms energy: -127.431653
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -33.226
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 5.824 (S_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: 29
Temperature: 1.250000
Total energy: -350.362816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.362816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.561379 (E_RNA)
where:
Base-Base interactions energy: -246.998
where: short stacking energy: -108.849
Base-Backbone interact. energy: -0.682
local terms energy: -108.880958
where:
bonds (distance) C4'-P energy: -23.470
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 6.199 (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: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -331.471386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.471386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.628911 (E_RNA)
where:
Base-Base interactions energy: -236.169
where: short stacking energy: -92.459
Base-Backbone interact. energy: 4.521
local terms energy: -108.981783
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 9.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -328.521641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.521641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.536416 (E_RNA)
where:
Base-Base interactions energy: -235.092
where: short stacking energy: -84.607
Base-Backbone interact. energy: -1.284
local terms energy: -95.160622
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 3.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -543.921437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.921437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.065967 (E_RNA)
where:
Base-Base interactions energy: -381.038
where: short stacking energy: -159.594
Base-Backbone interact. energy: 1.627
local terms energy: -164.654880
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -42.532
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -530.579952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.579952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.741219 (E_RNA)
where:
Base-Base interactions energy: -388.198
where: short stacking energy: -157.709
Base-Backbone interact. energy: -0.348
local terms energy: -142.195394
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -35.982
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -512.862743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.862743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.415350 (E_RNA)
where:
Base-Base interactions energy: -369.173
where: short stacking energy: -139.821
Base-Backbone interact. energy: 0.268
local terms energy: -144.510223
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -38.162
Dist. restrs. and SS energy: 0.553 (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: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -502.096960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.096960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.141159 (E_RNA)
where:
Base-Base interactions energy: -357.696
where: short stacking energy: -140.897
Base-Backbone interact. energy: 0.017
local terms energy: -144.461821
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -35.698
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -483.966848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.966848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.002025 (E_RNA)
where:
Base-Base interactions energy: -347.678
where: short stacking energy: -136.335
Base-Backbone interact. energy: 3.172
local terms energy: -139.495471
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -24.663
flat angles C4'-P-C4' energy: -24.979
flat angles P-C4'-P energy: -23.870
tors. eta vs tors. theta energy: -36.356
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -429.008847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.008847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.880314 (E_RNA)
where:
Base-Base interactions energy: -310.163
where: short stacking energy: -121.054
Base-Backbone interact. energy: 0.038
local terms energy: -130.755698
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -32.178
Dist. restrs. and SS energy: 11.871 (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: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -398.982534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.982534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.817065 (E_RNA)
where:
Base-Base interactions energy: -276.929
where: short stacking energy: -116.391
Base-Backbone interact. energy: -0.008
local terms energy: -126.879938
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -34.351
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: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -361.076233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.076233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.665510 (E_RNA)
where:
Base-Base interactions energy: -258.218
where: short stacking energy: -95.237
Base-Backbone interact. energy: -1.245
local terms energy: -103.202013
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -23.894
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -19.274
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: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -344.290024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.290024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.996435 (E_RNA)
where:
Base-Base interactions energy: -258.710
where: short stacking energy: -95.350
Base-Backbone interact. energy: -1.401
local terms energy: -89.884855
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 5.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -351.044254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.044254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.426263 (E_RNA)
where:
Base-Base interactions energy: -247.808
where: short stacking energy: -98.702
Base-Backbone interact. energy: -0.569
local terms energy: -111.048884
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 8.382 (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: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -534.078569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.078569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.128898 (E_RNA)
where:
Base-Base interactions energy: -370.739
where: short stacking energy: -148.518
Base-Backbone interact. energy: -0.757
local terms energy: -162.632894
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -531.082997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.082997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.364322 (E_RNA)
where:
Base-Base interactions energy: -378.347
where: short stacking energy: -152.311
Base-Backbone interact. energy: -0.140
local terms energy: -152.876750
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -30.194
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -40.905
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -506.160826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.160826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.364484 (E_RNA)
where:
Base-Base interactions energy: -365.705
where: short stacking energy: -148.485
Base-Backbone interact. energy: -0.255
local terms energy: -140.403852
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -34.471
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -493.727521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.727521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.345807 (E_RNA)
where:
Base-Base interactions energy: -342.909
where: short stacking energy: -140.608
Base-Backbone interact. energy: -1.028
local terms energy: -150.409330
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -37.609
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: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -488.806988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.806988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.016999 (E_RNA)
where:
Base-Base interactions energy: -351.495
where: short stacking energy: -142.045
Base-Backbone interact. energy: -0.490
local terms energy: -137.031385
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -25.876
flat angles C4'-P-C4' energy: -30.816
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -35.099
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -405.561021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.561021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.322643 (E_RNA)
where:
Base-Base interactions energy: -276.714
where: short stacking energy: -118.842
Base-Backbone interact. energy: 0.237
local terms energy: -132.846529
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 3.762 (S_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: 31
Temperature: 1.200000
Total energy: -415.210199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.210199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.025934 (E_RNA)
where:
Base-Base interactions energy: -298.871
where: short stacking energy: -127.727
Base-Backbone interact. energy: -0.583
local terms energy: -126.572582
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -20.727
tors. eta vs tors. theta energy: -33.116
Dist. restrs. and SS energy: 10.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -382.443464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.443464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.940683 (E_RNA)
where:
Base-Base interactions energy: -268.532
where: short stacking energy: -111.959
Base-Backbone interact. energy: -0.741
local terms energy: -119.667407
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -22.594
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: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -344.728304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.728304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.898256 (E_RNA)
where:
Base-Base interactions energy: -237.687
where: short stacking energy: -91.678
Base-Backbone interact. energy: -0.669
local terms energy: -112.541859
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -21.322
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: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -327.511360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.511360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.164792 (E_RNA)
where:
Base-Base interactions energy: -247.910
where: short stacking energy: -100.960
Base-Backbone interact. energy: -0.478
local terms energy: -95.777060
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -23.811
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 16.653 (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: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -536.552246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.552246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.623580 (E_RNA)
where:
Base-Base interactions energy: -380.460
where: short stacking energy: -159.112
Base-Backbone interact. energy: -0.539
local terms energy: -155.624120
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -32.591
flat angles P-C4'-P energy: -22.992
tors. eta vs tors. theta energy: -41.574
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -525.994922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.994922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.301110 (E_RNA)
where:
Base-Base interactions energy: -370.712
where: short stacking energy: -159.131
Base-Backbone interact. energy: -0.299
local terms energy: -155.290981
where:
bonds (distance) C4'-P energy: -23.706
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -41.718
Dist. restrs. and SS energy: 0.306 (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: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -512.507714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.507714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.528983 (E_RNA)
where:
Base-Base interactions energy: -363.099
where: short stacking energy: -149.542
Base-Backbone interact. energy: -0.186
local terms energy: -149.244672
where:
bonds (distance) C4'-P energy: -22.657
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -499.534009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.534009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.745847 (E_RNA)
where:
Base-Base interactions energy: -358.453
where: short stacking energy: -141.246
Base-Backbone interact. energy: -0.584
local terms energy: -140.708673
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -32.502
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -32.328
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -435.077890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.077890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.431664 (E_RNA)
where:
Base-Base interactions energy: -309.351
where: short stacking energy: -133.950
Base-Backbone interact. energy: 3.155
local terms energy: -130.235356
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -32.742
Dist. restrs. and SS energy: 1.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -484.886028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.886028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.048058 (E_RNA)
where:
Base-Base interactions energy: -348.025
where: short stacking energy: -140.112
Base-Backbone interact. energy: 3.121
local terms energy: -140.144355
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -424.643142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.727491 (E_RNA)
where:
Base-Base interactions energy: -301.995
where: short stacking energy: -102.511
Base-Backbone interact. energy: -0.207
local terms energy: -131.525132
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -31.226
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 9.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -380.903900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.903900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.238425 (E_RNA)
where:
Base-Base interactions energy: -266.212
where: short stacking energy: -105.838
Base-Backbone interact. energy: 2.129
local terms energy: -124.155266
where:
bonds (distance) C4'-P energy: -23.957
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -31.016
Dist. restrs. and SS energy: 7.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -353.683476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.683476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411400 (E_RNA)
where:
Base-Base interactions energy: -261.670
where: short stacking energy: -88.192
Base-Backbone interact. energy: -1.333
local terms energy: -96.408924
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -28.784
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 5.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -331.015201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.015201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.816939 (E_RNA)
where:
Base-Base interactions energy: -229.791
where: short stacking energy: -88.367
Base-Backbone interact. energy: -0.559
local terms energy: -103.466518
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -536.294742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.294742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.448950 (E_RNA)
where:
Base-Base interactions energy: -384.221
where: short stacking energy: -159.622
Base-Backbone interact. energy: 0.437
local terms energy: -152.665837
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 0.154 (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: 33
Temperature: 0.950000
Total energy: -532.846530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.846530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.965956 (E_RNA)
where:
Base-Base interactions energy: -369.572
where: short stacking energy: -147.017
Base-Backbone interact. energy: -0.366
local terms energy: -163.028053
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -33.841
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -37.589
Dist. restrs. and SS energy: 0.119 (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: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -519.093643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.093643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.282539 (E_RNA)
where:
Base-Base interactions energy: -375.380
where: short stacking energy: -153.282
Base-Backbone interact. energy: 4.713
local terms energy: -148.615055
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -37.960
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -510.481724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.744208 (E_RNA)
where:
Base-Base interactions energy: -361.559
where: short stacking energy: -136.230
Base-Backbone interact. energy: -0.399
local terms energy: -148.786786
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.262 (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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -423.563253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.563253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.861493 (E_RNA)
where:
Base-Base interactions energy: -285.603
where: short stacking energy: -141.732
Base-Backbone interact. energy: 0.722
local terms energy: -145.980833
where:
bonds (distance) C4'-P energy: -28.979
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -33.933
Dist. restrs. and SS energy: 7.298 (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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -464.476099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.476099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.256569 (E_RNA)
where:
Base-Base interactions energy: -328.806
where: short stacking energy: -136.328
Base-Backbone interact. energy: -0.657
local terms energy: -135.793185
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -30.280
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -34.106
Dist. restrs. and SS energy: 0.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -421.730273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.730273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.510046 (E_RNA)
where:
Base-Base interactions energy: -303.907
where: short stacking energy: -115.003
Base-Backbone interact. energy: 0.350
local terms energy: -125.953110
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -28.596
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -364.589265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.589265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.240181 (E_RNA)
where:
Base-Base interactions energy: -253.298
where: short stacking energy: -98.922
Base-Backbone interact. energy: 0.708
local terms energy: -119.649400
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 7.651 (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: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -344.151523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.151523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.822448 (E_RNA)
where:
Base-Base interactions energy: -237.809
where: short stacking energy: -94.019
Base-Backbone interact. energy: -0.326
local terms energy: -114.687024
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -23.866
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: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -330.459181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.459181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.377951 (E_RNA)
where:
Base-Base interactions energy: -236.239
where: short stacking energy: -91.158
Base-Backbone interact. energy: 0.694
local terms energy: -104.833334
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 9.919 (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: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -542.589338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.589338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.802610 (E_RNA)
where:
Base-Base interactions energy: -382.817
where: short stacking energy: -160.703
Base-Backbone interact. energy: -0.479
local terms energy: -159.506039
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -39.795
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -539.217148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.217148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.261791 (E_RNA)
where:
Base-Base interactions energy: -372.340
where: short stacking energy: -155.491
Base-Backbone interact. energy: -2.284
local terms energy: -164.637928
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -34.859
flat angles P-C4'-P energy: -21.575
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -530.939857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.939857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.196853 (E_RNA)
where:
Base-Base interactions energy: -368.566
where: short stacking energy: -159.465
Base-Backbone interact. energy: -0.507
local terms energy: -162.123766
where:
bonds (distance) C4'-P energy: -27.435
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -33.170
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -499.226378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.226378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.599644 (E_RNA)
where:
Base-Base interactions energy: -347.841
where: short stacking energy: -135.645
Base-Backbone interact. energy: -0.246
local terms energy: -151.513109
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.373 (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: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -458.822676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.822676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.082734 (E_RNA)
where:
Base-Base interactions energy: -321.263
where: short stacking energy: -131.899
Base-Backbone interact. energy: -0.496
local terms energy: -137.323841
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -32.571
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -384.383394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.678204 (E_RNA)
where:
Base-Base interactions energy: -265.552
where: short stacking energy: -105.772
Base-Backbone interact. energy: 3.964
local terms energy: -125.089925
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -430.467068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.467068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.687340 (E_RNA)
where:
Base-Base interactions energy: -317.060
where: short stacking energy: -129.773
Base-Backbone interact. energy: 0.496
local terms energy: -122.124013
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 8.220 (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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -373.207824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.207824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.850390 (E_RNA)
where:
Base-Base interactions energy: -268.200
where: short stacking energy: -110.475
Base-Backbone interact. energy: 2.178
local terms energy: -110.828132
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 3.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -321.921390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.921390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.044324 (E_RNA)
where:
Base-Base interactions energy: -234.730
where: short stacking energy: -83.318
Base-Backbone interact. energy: -1.320
local terms energy: -89.993678
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -12.687
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: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -346.823098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.823098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.448719 (E_RNA)
where:
Base-Base interactions energy: -252.198
where: short stacking energy: -95.108
Base-Backbone interact. energy: 1.388
local terms energy: -100.639466
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -23.442
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -533.762407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.762407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.968519 (E_RNA)
where:
Base-Base interactions energy: -378.014
where: short stacking energy: -161.120
Base-Backbone interact. energy: -0.464
local terms energy: -155.489765
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -36.270
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -42.607
Dist. restrs. and SS energy: 0.206 (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: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -521.405142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.405142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.648295 (E_RNA)
where:
Base-Base interactions energy: -369.229
where: short stacking energy: -160.371
Base-Backbone interact. energy: 0.231
local terms energy: -152.650477
where:
bonds (distance) C4'-P energy: -28.042
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -46.221
Dist. restrs. and SS energy: 0.243 (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: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -513.474315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.474315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.571762 (E_RNA)
where:
Base-Base interactions energy: -370.608
where: short stacking energy: -142.341
Base-Backbone interact. energy: -0.063
local terms energy: -142.901076
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -38.250
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -498.792394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.792394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.737179 (E_RNA)
where:
Base-Base interactions energy: -361.564
where: short stacking energy: -151.014
Base-Backbone interact. energy: -0.379
local terms energy: -137.794174
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -38.169
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -478.795584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.795584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.919040 (E_RNA)
where:
Base-Base interactions energy: -334.858
where: short stacking energy: -128.526
Base-Backbone interact. energy: -1.042
local terms energy: -143.018759
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -32.426
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -428.351675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.351675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.508906 (E_RNA)
where:
Base-Base interactions energy: -312.835
where: short stacking energy: -124.005
Base-Backbone interact. energy: -0.226
local terms energy: -125.448038
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -27.785
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -33.019
Dist. restrs. and SS energy: 10.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -402.105257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.105257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.606543 (E_RNA)
where:
Base-Base interactions energy: -273.086
where: short stacking energy: -112.138
Base-Backbone interact. energy: -0.790
local terms energy: -130.730286
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -358.893389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.893389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.031537 (E_RNA)
where:
Base-Base interactions energy: -253.314
where: short stacking energy: -98.250
Base-Backbone interact. energy: -0.897
local terms energy: -106.820784
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -331.318224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.318224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.941165 (E_RNA)
where:
Base-Base interactions energy: -232.321
where: short stacking energy: -83.301
Base-Backbone interact. energy: -1.197
local terms energy: -100.423223
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -29.138
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -341.572970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.572970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.933242 (E_RNA)
where:
Base-Base interactions energy: -236.153
where: short stacking energy: -90.302
Base-Backbone interact. energy: -0.568
local terms energy: -110.211561
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -22.855
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: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -526.382019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.382019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.756456 (E_RNA)
where:
Base-Base interactions energy: -369.207
where: short stacking energy: -155.166
Base-Backbone interact. energy: -0.496
local terms energy: -157.053147
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -24.769
tors. eta vs tors. theta energy: -39.053
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -522.343520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.343520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.381298 (E_RNA)
where:
Base-Base interactions energy: -376.850
where: short stacking energy: -147.102
Base-Backbone interact. energy: -0.409
local terms energy: -145.122108
where:
bonds (distance) C4'-P energy: -24.920
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -34.477
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -38.165
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -503.672333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.672333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.711802 (E_RNA)
where:
Base-Base interactions energy: -352.797
where: short stacking energy: -142.005
Base-Backbone interact. energy: -0.015
local terms energy: -150.900361
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -31.723
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -36.438
Dist. restrs. and SS energy: 0.039 (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: 36
Temperature: 1.050000
Total energy: -510.597727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.597727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.503525 (E_RNA)
where:
Base-Base interactions energy: -366.390
where: short stacking energy: -143.906
Base-Backbone interact. energy: -0.107
local terms energy: -145.006597
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -38.787
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: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -493.792307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.792307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.069431 (E_RNA)
where:
Base-Base interactions energy: -348.123
where: short stacking energy: -139.895
Base-Backbone interact. energy: -0.684
local terms energy: -145.261937
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -30.227
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -37.392
Dist. restrs. and SS energy: 0.277 (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: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -435.512998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.512998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.999733 (E_RNA)
where:
Base-Base interactions energy: -312.847
where: short stacking energy: -118.504
Base-Backbone interact. energy: -2.188
local terms energy: -129.965002
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -24.754
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -35.730
Dist. restrs. and SS energy: 9.487 (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: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -406.644448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.644448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.350055 (E_RNA)
where:
Base-Base interactions energy: -284.049
where: short stacking energy: -102.284
Base-Backbone interact. energy: -0.837
local terms energy: -124.463810
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -25.416
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -27.409
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -361.510952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.510952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.370258 (E_RNA)
where:
Base-Base interactions energy: -258.240
where: short stacking energy: -100.781
Base-Backbone interact. energy: 1.562
local terms energy: -108.692481
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -19.392
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: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -360.681460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.681460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.429802 (E_RNA)
where:
Base-Base interactions energy: -261.700
where: short stacking energy: -102.522
Base-Backbone interact. energy: -0.612
local terms energy: -110.118587
where:
bonds (distance) C4'-P energy: -22.883
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 11.748 (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: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -309.927982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.927982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.340873 (E_RNA)
where:
Base-Base interactions energy: -220.403
where: short stacking energy: -98.389
Base-Backbone interact. energy: -0.820
local terms energy: -92.118250
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -25.423
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -526.151590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.151590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.379730 (E_RNA)
where:
Base-Base interactions energy: -371.327
where: short stacking energy: -152.796
Base-Backbone interact. energy: 0.058
local terms energy: -155.110827
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -30.903
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -40.608
Dist. restrs. and SS energy: 0.228 (S_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: 37
Temperature: 0.950000
Total energy: -524.781366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.781366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.855694 (E_RNA)
where:
Base-Base interactions energy: -371.046
where: short stacking energy: -151.787
Base-Backbone interact. energy: 1.328
local terms energy: -155.137343
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -39.978
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -524.965402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.965402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.045212 (E_RNA)
where:
Base-Base interactions energy: -364.310
where: short stacking energy: -148.272
Base-Backbone interact. energy: 0.269
local terms energy: -161.003811
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -43.393
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -483.087884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.087884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.314088 (E_RNA)
where:
Base-Base interactions energy: -347.105
where: short stacking energy: -133.197
Base-Backbone interact. energy: -0.623
local terms energy: -135.585920
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -32.832
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -474.441414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.441414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.050601 (E_RNA)
where:
Base-Base interactions energy: -324.937
where: short stacking energy: -136.064
Base-Backbone interact. energy: -2.006
local terms energy: -148.108199
where:
bonds (distance) C4'-P energy: -27.230
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -38.230
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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -429.631472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.631472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.659563 (E_RNA)
where:
Base-Base interactions energy: -300.334
where: short stacking energy: -125.006
Base-Backbone interact. energy: 0.177
local terms energy: -132.502170
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -35.251
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: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -418.066513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.066513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.131675 (E_RNA)
where:
Base-Base interactions energy: -312.417
where: short stacking energy: -119.078
Base-Backbone interact. energy: 4.132
local terms energy: -119.846129
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -29.458
Dist. restrs. and SS energy: 10.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -380.538448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.538448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.859524 (E_RNA)
where:
Base-Base interactions energy: -271.104
where: short stacking energy: -110.458
Base-Backbone interact. energy: -0.632
local terms energy: -116.123656
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -25.726
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -374.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.823368 (E_RNA)
where:
Base-Base interactions energy: -250.882
where: short stacking energy: -105.493
Base-Backbone interact. energy: -1.100
local terms energy: -129.841337
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -26.441
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: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -297.460592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.460592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.540620 (E_RNA)
where:
Base-Base interactions energy: -204.392
where: short stacking energy: -89.673
Base-Backbone interact. energy: -1.247
local terms energy: -101.901843
where:
bonds (distance) C4'-P energy: -20.234
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 10.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -530.567909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.567909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.626437 (E_RNA)
where:
Base-Base interactions energy: -371.207
where: short stacking energy: -151.703
Base-Backbone interact. energy: 0.290
local terms energy: -159.709732
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -34.005
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: -40.333
Dist. restrs. and SS energy: 0.059 (S_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: 38
Temperature: 0.950000
Total energy: -523.754703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.754703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.136918 (E_RNA)
where:
Base-Base interactions energy: -371.579
where: short stacking energy: -153.441
Base-Backbone interact. energy: -0.293
local terms energy: -152.265790
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -38.131
Dist. restrs. and SS energy: 0.382 (S_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: 38
Temperature: 1.000000
Total energy: -509.808312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.808312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.979237 (E_RNA)
where:
Base-Base interactions energy: -352.761
where: short stacking energy: -150.525
Base-Backbone interact. energy: -0.606
local terms energy: -156.612524
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -486.737404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.737404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.986596 (E_RNA)
where:
Base-Base interactions energy: -348.366
where: short stacking energy: -135.019
Base-Backbone interact. energy: -0.212
local terms energy: -138.409037
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -35.838
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -452.850127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.850127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.573539 (E_RNA)
where:
Base-Base interactions energy: -314.595
where: short stacking energy: -147.110
Base-Backbone interact. energy: 0.611
local terms energy: -141.589564
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 2.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -477.897159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.897159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.240229 (E_RNA)
where:
Base-Base interactions energy: -356.094
where: short stacking energy: -140.074
Base-Backbone interact. energy: -0.955
local terms energy: -121.190597
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -412.405735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.520728 (E_RNA)
where:
Base-Base interactions energy: -301.886
where: short stacking energy: -111.716
Base-Backbone interact. energy: -0.548
local terms energy: -123.086900
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -27.345
Dist. restrs. and SS energy: 13.115 (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: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -366.164427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.164427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.078771 (E_RNA)
where:
Base-Base interactions energy: -264.117
where: short stacking energy: -110.074
Base-Backbone interact. energy: 1.610
local terms energy: -113.571969
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 9.914 (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: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -391.763993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.763993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.698232 (E_RNA)
where:
Base-Base interactions energy: -274.366
where: short stacking energy: -114.017
Base-Backbone interact. energy: -0.743
local terms energy: -121.589605
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -26.774
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -337.040017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.040017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.333474 (E_RNA)
where:
Base-Base interactions energy: -243.973
where: short stacking energy: -92.931
Base-Backbone interact. energy: -0.686
local terms energy: -100.674960
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -17.122
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: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -538.827970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.827970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.897307 (E_RNA)
where:
Base-Base interactions energy: -381.190
where: short stacking energy: -155.506
Base-Backbone interact. energy: -0.595
local terms energy: -157.112171
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -514.726584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.726584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.060219 (E_RNA)
where:
Base-Base interactions energy: -361.998
where: short stacking energy: -144.554
Base-Backbone interact. energy: -0.614
local terms energy: -152.448315
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.334 (S_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: 39
Temperature: 1.000000
Total energy: -509.872179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.872179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.935763 (E_RNA)
where:
Base-Base interactions energy: -364.751
where: short stacking energy: -149.242
Base-Backbone interact. energy: -0.797
local terms energy: -144.387176
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -494.607077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.607077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.686822 (E_RNA)
where:
Base-Base interactions energy: -355.502
where: short stacking energy: -141.385
Base-Backbone interact. energy: 0.861
local terms energy: -140.045962
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -37.032
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -417.438202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.438202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.961911 (E_RNA)
where:
Base-Base interactions energy: -284.085
where: short stacking energy: -115.553
Base-Backbone interact. energy: 0.432
local terms energy: -134.308610
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -31.354
Dist. restrs. and SS energy: 0.524 (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: 39
Temperature: 1.150000
Total energy: -425.394820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.394820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.414465 (E_RNA)
where:
Base-Base interactions energy: -308.519
where: short stacking energy: -115.524
Base-Backbone interact. energy: -0.669
local terms energy: -124.226791
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: 8.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -463.273730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.273730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.962380 (E_RNA)
where:
Base-Base interactions energy: -336.926
where: short stacking energy: -123.870
Base-Backbone interact. energy: -0.077
local terms energy: -126.958781
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -26.572
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: 0.689 (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: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -385.725814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.725814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.516571 (E_RNA)
where:
Base-Base interactions energy: -281.557
where: short stacking energy: -121.002
Base-Backbone interact. energy: 6.173
local terms energy: -113.132247
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 2.791 (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: 39
Temperature: 1.300000
Total energy: -339.608263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.608263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.052811 (E_RNA)
where:
Base-Base interactions energy: -235.952
where: short stacking energy: -101.170
Base-Backbone interact. energy: -0.820
local terms energy: -114.281425
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 11.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -350.605388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.605388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.505651 (E_RNA)
where:
Base-Base interactions energy: -240.424
where: short stacking energy: -100.534
Base-Backbone interact. energy: 0.457
local terms energy: -122.538170
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 11.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -537.642102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.642102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.734547 (E_RNA)
where:
Base-Base interactions energy: -375.439
where: short stacking energy: -157.292
Base-Backbone interact. energy: -0.736
local terms energy: -161.559236
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -43.742
Dist. restrs. and SS energy: 0.092 (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: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -525.422376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.422376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.879540 (E_RNA)
where:
Base-Base interactions energy: -373.290
where: short stacking energy: -153.711
Base-Backbone interact. energy: -1.122
local terms energy: -151.467308
where:
bonds (distance) C4'-P energy: -27.380
bonds (distance) P-C4' energy: -32.120
flat angles C4'-P-C4' energy: -34.307
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -39.555
Dist. restrs. and SS energy: 0.457 (S_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: 40
Temperature: 1.000000
Total energy: -510.897480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.897480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.082227 (E_RNA)
where:
Base-Base interactions energy: -351.973
where: short stacking energy: -150.172
Base-Backbone interact. energy: -0.496
local terms energy: -158.613846
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -32.816
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.185 (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: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -505.965393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.965393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.549805 (E_RNA)
where:
Base-Base interactions energy: -355.645
where: short stacking energy: -148.805
Base-Backbone interact. energy: -1.308
local terms energy: -149.596872
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -32.540
flat angles C4'-P-C4' energy: -31.929
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -38.544
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -472.435654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.435654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.424639 (E_RNA)
where:
Base-Base interactions energy: -339.134
where: short stacking energy: -136.236
Base-Backbone interact. energy: 1.060
local terms energy: -142.350527
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -36.964
Dist. restrs. and SS energy: 7.989 (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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -401.648091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.648091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.919522 (E_RNA)
where:
Base-Base interactions energy: -273.971
where: short stacking energy: -111.824
Base-Backbone interact. energy: 1.117
local terms energy: -130.065201
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -461.235481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.235481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.903422 (E_RNA)
where:
Base-Base interactions energy: -332.685
where: short stacking energy: -129.155
Base-Backbone interact. energy: -0.101
local terms energy: -129.117732
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -396.373816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.373816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.242959 (E_RNA)
where:
Base-Base interactions energy: -289.090
where: short stacking energy: -107.153
Base-Backbone interact. energy: -0.649
local terms energy: -112.503453
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 5.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -353.783416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.783416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.227569 (E_RNA)
where:
Base-Base interactions energy: -251.942
where: short stacking energy: -92.301
Base-Backbone interact. energy: -1.390
local terms energy: -102.895137
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -308.178998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.178998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.311741 (E_RNA)
where:
Base-Base interactions energy: -214.097
where: short stacking energy: -79.275
Base-Backbone interact. energy: 0.973
local terms energy: -99.187610
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -10.692
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: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -531.883538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.883538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.970939 (E_RNA)
where:
Base-Base interactions energy: -381.594
where: short stacking energy: -151.010
Base-Backbone interact. energy: -0.482
local terms energy: -149.894765
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -40.939
Dist. restrs. and SS energy: 0.087 (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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -531.991126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.991126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.435504 (E_RNA)
where:
Base-Base interactions energy: -370.641
where: short stacking energy: -146.070
Base-Backbone interact. energy: 0.300
local terms energy: -162.094528
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -34.558
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -510.350050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.350050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.813121 (E_RNA)
where:
Base-Base interactions energy: -357.257
where: short stacking energy: -146.579
Base-Backbone interact. energy: -0.440
local terms energy: -153.115545
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -40.282
Dist. restrs. and SS energy: 0.463 (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: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -461.774855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.774855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.675568 (E_RNA)
where:
Base-Base interactions energy: -334.350
where: short stacking energy: -135.471
Base-Backbone interact. energy: -0.496
local terms energy: -137.829146
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -28.007
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -35.689
Dist. restrs. and SS energy: 10.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -475.398714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.398714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.509684 (E_RNA)
where:
Base-Base interactions energy: -344.867
where: short stacking energy: -138.752
Base-Backbone interact. energy: -0.607
local terms energy: -130.035711
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -26.222
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.111 (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: 41
Temperature: 1.150000
Total energy: -479.567896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.567896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.986627 (E_RNA)
where:
Base-Base interactions energy: -338.387
where: short stacking energy: -132.859
Base-Backbone interact. energy: -0.152
local terms energy: -141.447473
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -35.862
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -409.012382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.012382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.985527 (E_RNA)
where:
Base-Base interactions energy: -293.460
where: short stacking energy: -122.981
Base-Backbone interact. energy: 2.145
local terms energy: -121.669869
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -28.898
Dist. restrs. and SS energy: 3.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -391.904907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.904907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.064955 (E_RNA)
where:
Base-Base interactions energy: -281.973
where: short stacking energy: -111.859
Base-Backbone interact. energy: -0.544
local terms energy: -115.547696
where:
bonds (distance) C4'-P energy: -25.080
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 6.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -319.552502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.552502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.254508 (E_RNA)
where:
Base-Base interactions energy: -219.840
where: short stacking energy: -81.677
Base-Backbone interact. energy: -1.482
local terms energy: -109.932017
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 11.702 (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: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -317.767277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.767277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.369308 (E_RNA)
where:
Base-Base interactions energy: -230.905
where: short stacking energy: -91.738
Base-Backbone interact. energy: 0.694
local terms energy: -94.158180
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 6.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -537.108435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.108435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.297842 (E_RNA)
where:
Base-Base interactions energy: -385.808
where: short stacking energy: -163.151
Base-Backbone interact. energy: 0.173
local terms energy: -151.662974
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -527.502184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.502184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.584187 (E_RNA)
where:
Base-Base interactions energy: -374.485
where: short stacking energy: -146.000
Base-Backbone interact. energy: 2.309
local terms energy: -155.409103
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -38.587
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -521.850305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.850305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.418558 (E_RNA)
where:
Base-Base interactions energy: -368.152
where: short stacking energy: -143.525
Base-Backbone interact. energy: -0.211
local terms energy: -154.055702
where:
bonds (distance) C4'-P energy: -29.069
bonds (distance) P-C4' energy: -29.692
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -40.544
Dist. restrs. and SS energy: 0.568 (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: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -462.849859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.849859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.334888 (E_RNA)
where:
Base-Base interactions energy: -324.625
where: short stacking energy: -126.106
Base-Backbone interact. energy: 2.133
local terms energy: -147.843089
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 7.485 (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: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -486.228945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.228945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.423905 (E_RNA)
where:
Base-Base interactions energy: -352.117
where: short stacking energy: -147.104
Base-Backbone interact. energy: -0.288
local terms energy: -134.019629
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -459.116638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.116638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.571243 (E_RNA)
where:
Base-Base interactions energy: -326.513
where: short stacking energy: -122.154
Base-Backbone interact. energy: -0.719
local terms energy: -132.339093
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -29.149
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -409.335604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.335604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.207549 (E_RNA)
where:
Base-Base interactions energy: -281.727
where: short stacking energy: -120.261
Base-Backbone interact. energy: -0.811
local terms energy: -130.669661
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -27.405
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -32.472
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: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -352.402163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.402163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.602934 (E_RNA)
where:
Base-Base interactions energy: -254.331
where: short stacking energy: -107.463
Base-Backbone interact. energy: 0.404
local terms energy: -109.676467
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 11.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -324.410067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.410067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.645412 (E_RNA)
where:
Base-Base interactions energy: -243.867
where: short stacking energy: -84.008
Base-Backbone interact. energy: -0.660
local terms energy: -87.119025
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -340.710795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.710795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.003094 (E_RNA)
where:
Base-Base interactions energy: -245.293
where: short stacking energy: -102.997
Base-Backbone interact. energy: -1.633
local terms energy: -107.076973
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 13.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -531.641768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.641768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.740054 (E_RNA)
where:
Base-Base interactions energy: -373.454
where: short stacking energy: -148.858
Base-Backbone interact. energy: 1.442
local terms energy: -159.728721
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -36.400
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: -38.708
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -517.168499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.168499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.519001 (E_RNA)
where:
Base-Base interactions energy: -375.324
where: short stacking energy: -144.406
Base-Backbone interact. energy: -0.669
local terms energy: -141.526126
where:
bonds (distance) C4'-P energy: -30.944
bonds (distance) P-C4' energy: -26.497
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -38.836
Dist. restrs. and SS energy: 0.351 (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: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -506.823184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.823184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.839905 (E_RNA)
where:
Base-Base interactions energy: -354.810
where: short stacking energy: -143.102
Base-Backbone interact. energy: -0.194
local terms energy: -151.835494
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -42.759
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -488.329948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.329948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.520814 (E_RNA)
where:
Base-Base interactions energy: -349.624
where: short stacking energy: -147.531
Base-Backbone interact. energy: -0.847
local terms energy: -138.049613
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -32.309
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -34.933
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -441.087093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.087093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.973635 (E_RNA)
where:
Base-Base interactions energy: -321.208
where: short stacking energy: -127.624
Base-Backbone interact. energy: 0.673
local terms energy: -128.437864
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -29.332
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -486.359489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.359489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.613160 (E_RNA)
where:
Base-Base interactions energy: -343.280
where: short stacking energy: -132.393
Base-Backbone interact. energy: -0.712
local terms energy: -142.620646
where:
bonds (distance) C4'-P energy: -32.210
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -40.435
Dist. restrs. and SS energy: 0.254 (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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -390.855618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.855618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.994711 (E_RNA)
where:
Base-Base interactions energy: -276.746
where: short stacking energy: -108.311
Base-Backbone interact. energy: 3.700
local terms energy: -120.948432
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 3.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -334.030228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.030228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.665391 (E_RNA)
where:
Base-Base interactions energy: -247.909
where: short stacking energy: -89.287
Base-Backbone interact. energy: -2.300
local terms energy: -90.456415
where:
bonds (distance) C4'-P energy: -6.452
bonds (distance) P-C4' energy: -30.230
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -16.326
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: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -339.399679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.399679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.783037 (E_RNA)
where:
Base-Base interactions energy: -240.783
where: short stacking energy: -80.457
Base-Backbone interact. energy: 2.153
local terms energy: -105.153371
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 4.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -348.399079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.399079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.851403 (E_RNA)
where:
Base-Base interactions energy: -254.897
where: short stacking energy: -90.925
Base-Backbone interact. energy: -0.686
local terms energy: -97.268276
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -21.810
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: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -530.385680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.385680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.481623 (E_RNA)
where:
Base-Base interactions energy: -371.556
where: short stacking energy: -151.929
Base-Backbone interact. energy: -1.768
local terms energy: -157.157006
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -44.624
Dist. restrs. and SS energy: 0.096 (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: 44
Temperature: 0.950000
Total energy: -519.123564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.123564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.349094 (E_RNA)
where:
Base-Base interactions energy: -365.269
where: short stacking energy: -149.556
Base-Backbone interact. energy: -0.363
local terms energy: -153.717082
where:
bonds (distance) C4'-P energy: -30.000
bonds (distance) P-C4' energy: -31.770
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -39.161
Dist. restrs. and SS energy: 0.226 (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: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -506.706056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.706056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.875725 (E_RNA)
where:
Base-Base interactions energy: -356.570
where: short stacking energy: -144.334
Base-Backbone interact. energy: -0.081
local terms energy: -150.224250
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -39.975
Dist. restrs. and SS energy: 0.170 (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: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -491.398432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.398432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.468100 (E_RNA)
where:
Base-Base interactions energy: -355.611
where: short stacking energy: -155.346
Base-Backbone interact. energy: 0.696
local terms energy: -136.552939
where:
bonds (distance) C4'-P energy: -25.579
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -32.549
Dist. restrs. and SS energy: 0.070 (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: 44
Temperature: 1.100000
Total energy: -485.647025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.647025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.926666 (E_RNA)
where:
Base-Base interactions energy: -349.249
where: short stacking energy: -139.584
Base-Backbone interact. energy: 0.316
local terms energy: -136.994310
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -33.036
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -404.350025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.350025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.700671 (E_RNA)
where:
Base-Base interactions energy: -296.965
where: short stacking energy: -114.264
Base-Backbone interact. energy: 1.104
local terms energy: -119.839220
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -26.372
Dist. restrs. and SS energy: 11.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -372.394804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.394804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.481485 (E_RNA)
where:
Base-Base interactions energy: -273.978
where: short stacking energy: -106.260
Base-Backbone interact. energy: 4.352
local terms energy: -111.855034
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 9.087 (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: 44
Temperature: 1.250000
Total energy: -387.643901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.643901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.878201 (E_RNA)
where:
Base-Base interactions energy: -276.944
where: short stacking energy: -115.742
Base-Backbone interact. energy: -0.490
local terms energy: -114.444490
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -21.772
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: 44
Temperature: 1.300000
Total energy: -352.075538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.075538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.140436 (E_RNA)
where:
Base-Base interactions energy: -265.546
where: short stacking energy: -98.549
Base-Backbone interact. energy: 1.439
local terms energy: -91.033651
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -23.041
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -318.394565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.394565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.773692 (E_RNA)
where:
Base-Base interactions energy: -216.161
where: short stacking energy: -83.557
Base-Backbone interact. energy: 0.217
local terms energy: -108.828950
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -32.474
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 6.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -528.485158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.485158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.028379 (E_RNA)
where:
Base-Base interactions energy: -373.157
where: short stacking energy: -151.233
Base-Backbone interact. energy: -0.526
local terms energy: -155.345371
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -40.664
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: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -526.666355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.666355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.896090 (E_RNA)
where:
Base-Base interactions energy: -367.826
where: short stacking energy: -155.012
Base-Backbone interact. energy: -1.187
local terms energy: -157.883571
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -46.937
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -509.473196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.473196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.069451 (E_RNA)
where:
Base-Base interactions energy: -367.762
where: short stacking energy: -156.206
Base-Backbone interact. energy: -1.023
local terms energy: -141.284209
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -30.659
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -37.774
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -505.032165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.032165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.720879 (E_RNA)
where:
Base-Base interactions energy: -364.730
where: short stacking energy: -145.090
Base-Backbone interact. energy: -0.204
local terms energy: -140.786526
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -24.059
tors. eta vs tors. theta energy: -35.490
Dist. restrs. and SS energy: 0.689 (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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -473.582850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.582850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.851482 (E_RNA)
where:
Base-Base interactions energy: -332.280
where: short stacking energy: -128.778
Base-Backbone interact. energy: 3.180
local terms energy: -144.751048
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -393.773400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.773400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.871575 (E_RNA)
where:
Base-Base interactions energy: -285.337
where: short stacking energy: -118.829
Base-Backbone interact. energy: -0.521
local terms energy: -119.012952
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -26.750
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: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -421.478730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.478730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.604731 (E_RNA)
where:
Base-Base interactions energy: -309.248
where: short stacking energy: -122.505
Base-Backbone interact. energy: -0.420
local terms energy: -120.936395
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -20.451
tors. eta vs tors. theta energy: -28.679
Dist. restrs. and SS energy: 9.126 (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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -366.906594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.906594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.699090 (E_RNA)
where:
Base-Base interactions energy: -262.425
where: short stacking energy: -88.847
Base-Backbone interact. energy: -0.950
local terms energy: -108.324671
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -16.425
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: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -365.541332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.541332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.413348 (E_RNA)
where:
Base-Base interactions energy: -254.768
where: short stacking energy: -105.667
Base-Backbone interact. energy: -1.181
local terms energy: -112.463739
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -28.790
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: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -336.767494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.767494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.887124 (E_RNA)
where:
Base-Base interactions energy: -227.238
where: short stacking energy: -80.263
Base-Backbone interact. energy: -0.081
local terms energy: -113.568624
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -23.499
tors. eta vs tors. theta energy: -17.249
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: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -515.565998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.565998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.022383 (E_RNA)
where:
Base-Base interactions energy: -364.068
where: short stacking energy: -150.447
Base-Backbone interact. energy: 0.692
local terms energy: -152.645900
where:
bonds (distance) C4'-P energy: -28.243
bonds (distance) P-C4' energy: -34.512
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -38.226
Dist. restrs. and SS energy: 0.456 (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: 46
Temperature: 0.950000
Total energy: -519.184000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.184000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.392582 (E_RNA)
where:
Base-Base interactions energy: -363.428
where: short stacking energy: -147.468
Base-Backbone interact. energy: -0.373
local terms energy: -155.591337
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -511.015169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.015169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.256530 (E_RNA)
where:
Base-Base interactions energy: -377.306
where: short stacking energy: -146.830
Base-Backbone interact. energy: 0.129
local terms energy: -134.079845
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -37.210
Dist. restrs. and SS energy: 0.241 (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: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -494.604762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.604762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.191233 (E_RNA)
where:
Base-Base interactions energy: -350.729
where: short stacking energy: -147.068
Base-Backbone interact. energy: 2.005
local terms energy: -146.467409
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -41.951
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -478.618733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.618733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.627535 (E_RNA)
where:
Base-Base interactions energy: -338.910
where: short stacking energy: -131.403
Base-Backbone interact. energy: -0.713
local terms energy: -139.004715
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -32.162
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -381.088861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.088861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.039664 (E_RNA)
where:
Base-Base interactions energy: -270.631
where: short stacking energy: -116.739
Base-Backbone interact. energy: -0.575
local terms energy: -114.834293
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -434.374259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.374259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.154512 (E_RNA)
where:
Base-Base interactions energy: -316.746
where: short stacking energy: -121.551
Base-Backbone interact. energy: 0.114
local terms energy: -125.522732
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -33.452
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -370.267008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.267008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.780980 (E_RNA)
where:
Base-Base interactions energy: -269.177
where: short stacking energy: -102.880
Base-Backbone interact. energy: 3.294
local terms energy: -106.897534
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -24.158
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -18.445
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: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -356.290526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.290526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.475268 (E_RNA)
where:
Base-Base interactions energy: -252.191
where: short stacking energy: -100.128
Base-Backbone interact. energy: -0.050
local terms energy: -109.234083
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -21.239
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: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -340.112452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.592152 (E_RNA)
where:
Base-Base interactions energy: -250.200
where: short stacking energy: -101.041
Base-Backbone interact. energy: -0.903
local terms energy: -98.489447
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 9.480 (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: 47
Temperature: 0.900000
Total energy: -517.454332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.454332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.621134 (E_RNA)
where:
Base-Base interactions energy: -375.765
where: short stacking energy: -146.246
Base-Backbone interact. energy: -1.327
local terms energy: -140.528429
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.167 (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: 47
Temperature: 0.950000
Total energy: -516.427778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.427778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.666140 (E_RNA)
where:
Base-Base interactions energy: -364.505
where: short stacking energy: -153.961
Base-Backbone interact. energy: -0.854
local terms energy: -151.307589
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -39.576
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -510.653202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.653202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.061885 (E_RNA)
where:
Base-Base interactions energy: -374.107
where: short stacking energy: -153.217
Base-Backbone interact. energy: -0.414
local terms energy: -136.541330
where:
bonds (distance) C4'-P energy: -23.733
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -34.182
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: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -480.549681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.549681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.877634 (E_RNA)
where:
Base-Base interactions energy: -346.728
where: short stacking energy: -144.190
Base-Backbone interact. energy: -1.154
local terms energy: -132.995868
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: -36.080
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -473.466599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.466599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.842369 (E_RNA)
where:
Base-Base interactions energy: -325.543
where: short stacking energy: -126.236
Base-Backbone interact. energy: -0.522
local terms energy: -147.777461
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -32.719
Dist. restrs. and SS energy: 0.376 (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: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -441.249495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.249495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.577689 (E_RNA)
where:
Base-Base interactions energy: -318.003
where: short stacking energy: -119.348
Base-Backbone interact. energy: -0.706
local terms energy: -129.868651
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -30.394
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: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -372.295185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.295185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.770714 (E_RNA)
where:
Base-Base interactions energy: -263.850
where: short stacking energy: -106.424
Base-Backbone interact. energy: 1.836
local terms energy: -119.756852
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -27.602
Dist. restrs. and SS energy: 9.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -360.940081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.940081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.830574 (E_RNA)
where:
Base-Base interactions energy: -271.307
where: short stacking energy: -98.507
Base-Backbone interact. energy: 6.661
local terms energy: -104.184122
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 7.890 (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: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -321.970906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.970906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.214040 (E_RNA)
where:
Base-Base interactions energy: -225.497
where: short stacking energy: -94.686
Base-Backbone interact. energy: -0.227
local terms energy: -105.489870
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 9.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -330.009173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.009173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.582526 (E_RNA)
where:
Base-Base interactions energy: -235.401
where: short stacking energy: -99.002
Base-Backbone interact. energy: 1.348
local terms energy: -102.530038
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -15.136
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -522.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.901117 (E_RNA)
where:
Base-Base interactions energy: -365.302
where: short stacking energy: -146.238
Base-Backbone interact. energy: -2.037
local terms energy: -155.562346
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -36.273
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -527.702672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.702672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.850412 (E_RNA)
where:
Base-Base interactions energy: -373.552
where: short stacking energy: -153.425
Base-Backbone interact. energy: -0.485
local terms energy: -153.814294
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -499.452369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.452369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.679065 (E_RNA)
where:
Base-Base interactions energy: -361.983
where: short stacking energy: -145.727
Base-Backbone interact. energy: -0.347
local terms energy: -137.348851
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -24.438
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -27.941
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -493.214734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.214734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.488309 (E_RNA)
where:
Base-Base interactions energy: -353.271
where: short stacking energy: -146.024
Base-Backbone interact. energy: -1.732
local terms energy: -138.485355
where:
bonds (distance) C4'-P energy: -25.191
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -27.302
flat angles P-C4'-P energy: -18.455
tors. eta vs tors. theta energy: -36.709
Dist. restrs. and SS energy: 0.274 (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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -481.006558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.006558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.075103 (E_RNA)
where:
Base-Base interactions energy: -348.251
where: short stacking energy: -136.610
Base-Backbone interact. energy: 1.420
local terms energy: -134.244507
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -32.884
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -435.037148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.037148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.887990 (E_RNA)
where:
Base-Base interactions energy: -312.829
where: short stacking energy: -121.789
Base-Backbone interact. energy: -0.829
local terms energy: -129.229156
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -29.929
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -33.107
Dist. restrs. and SS energy: 7.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -370.581062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.581062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.779391 (E_RNA)
where:
Base-Base interactions energy: -280.038
where: short stacking energy: -109.843
Base-Backbone interact. energy: 2.166
local terms energy: -107.907644
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -23.438
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 15.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -382.214494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.214494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.368565 (E_RNA)
where:
Base-Base interactions energy: -266.910
where: short stacking energy: -110.584
Base-Backbone interact. energy: 3.137
local terms energy: -125.595921
where:
bonds (distance) C4'-P energy: -29.250
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -28.506
Dist. restrs. and SS energy: 7.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -361.369269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.369269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.822087 (E_RNA)
where:
Base-Base interactions energy: -274.911
where: short stacking energy: -100.849
Base-Backbone interact. energy: -0.601
local terms energy: -88.310398
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -352.452658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.452658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.639393 (E_RNA)
where:
Base-Base interactions energy: -231.100
where: short stacking energy: -83.886
Base-Backbone interact. energy: -0.460
local terms energy: -127.079385
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 6.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -536.663600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.663600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.859705 (E_RNA)
where:
Base-Base interactions energy: -379.824
where: short stacking energy: -158.028
Base-Backbone interact. energy: -0.158
local terms energy: -156.877886
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -40.825
Dist. restrs. and SS energy: 0.196 (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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -503.435051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.435051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.977068 (E_RNA)
where:
Base-Base interactions energy: -364.281
where: short stacking energy: -140.212
Base-Backbone interact. energy: 1.188
local terms energy: -140.883849
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -30.794
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -488.815007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.815007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.632292 (E_RNA)
where:
Base-Base interactions energy: -342.195
where: short stacking energy: -139.939
Base-Backbone interact. energy: 0.174
local terms energy: -147.611141
where:
bonds (distance) C4'-P energy: -32.637
bonds (distance) P-C4' energy: -33.595
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -34.105
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -493.656509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.656509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.696476 (E_RNA)
where:
Base-Base interactions energy: -346.633
where: short stacking energy: -127.205
Base-Backbone interact. energy: -0.344
local terms energy: -146.719838
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -30.835
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -38.692
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -491.256556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.256556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.740607 (E_RNA)
where:
Base-Base interactions energy: -345.539
where: short stacking energy: -141.935
Base-Backbone interact. energy: -0.027
local terms energy: -146.174581
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -34.275
Dist. restrs. and SS energy: 0.484 (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: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -433.680911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.680911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.958439 (E_RNA)
where:
Base-Base interactions energy: -316.461
where: short stacking energy: -127.783
Base-Backbone interact. energy: 3.279
local terms energy: -128.776638
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 8.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -354.643780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.643780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.374381 (E_RNA)
where:
Base-Base interactions energy: -236.534
where: short stacking energy: -103.527
Base-Backbone interact. energy: -1.843
local terms energy: -120.996712
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -29.927
Dist. restrs. and SS energy: 4.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -340.733127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.733127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.581411 (E_RNA)
where:
Base-Base interactions energy: -240.466
where: short stacking energy: -104.338
Base-Backbone interact. energy: -0.525
local terms energy: -108.590311
where:
bonds (distance) C4'-P energy: -27.594
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 8.848 (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: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -346.687857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.687857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.291987 (E_RNA)
where:
Base-Base interactions energy: -234.535
where: short stacking energy: -90.611
Base-Backbone interact. energy: 0.730
local terms energy: -121.487013
where:
bonds (distance) C4'-P energy: -29.693
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -22.877
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: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -313.040048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.040048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.980824 (E_RNA)
where:
Base-Base interactions energy: -219.610
where: short stacking energy: -85.836
Base-Backbone interact. energy: 1.086
local terms energy: -98.456595
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 3.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -517.470833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.470833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.580312 (E_RNA)
where:
Base-Base interactions energy: -371.360
where: short stacking energy: -149.461
Base-Backbone interact. energy: -0.372
local terms energy: -145.848300
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -32.132
flat angles C4'-P-C4' energy: -34.648
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -32.217
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -520.974693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.974693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.235211 (E_RNA)
where:
Base-Base interactions energy: -364.725
where: short stacking energy: -148.500
Base-Backbone interact. energy: -0.534
local terms energy: -155.976406
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -44.543
Dist. restrs. and SS energy: 0.261 (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: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -509.802441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.802441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.128910 (E_RNA)
where:
Base-Base interactions energy: -356.756
where: short stacking energy: -143.254
Base-Backbone interact. energy: -0.938
local terms energy: -152.434620
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -37.978
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -501.347847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.347847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.808688 (E_RNA)
where:
Base-Base interactions energy: -361.509
where: short stacking energy: -151.234
Base-Backbone interact. energy: 1.718
local terms energy: -142.016896
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -38.596
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -471.031919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.031919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.227489 (E_RNA)
where:
Base-Base interactions energy: -331.967
where: short stacking energy: -132.564
Base-Backbone interact. energy: -0.860
local terms energy: -138.399959
where:
bonds (distance) C4'-P energy: -26.316
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -432.880682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.880682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.452447 (E_RNA)
where:
Base-Base interactions energy: -309.708
where: short stacking energy: -108.601
Base-Backbone interact. energy: -1.428
local terms energy: -128.316133
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 6.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -383.384079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.384079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.735062 (E_RNA)
where:
Base-Base interactions energy: -281.537
where: short stacking energy: -111.243
Base-Backbone interact. energy: -0.298
local terms energy: -109.900403
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 8.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -374.831881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.831881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.907617 (E_RNA)
where:
Base-Base interactions energy: -256.801
where: short stacking energy: -96.600
Base-Backbone interact. energy: -2.251
local terms energy: -119.855914
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -30.291
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -21.786
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -369.726939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.726939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.798725 (E_RNA)
where:
Base-Base interactions energy: -264.796
where: short stacking energy: -99.879
Base-Backbone interact. energy: -0.539
local terms energy: -113.463953
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 9.072 (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: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -336.223627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.223627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.540760 (E_RNA)
where:
Base-Base interactions energy: -239.039
where: short stacking energy: -80.899
Base-Backbone interact. energy: 3.745
local terms energy: -106.247034
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -33.309
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 5.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -510.654960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.654960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.705619 (E_RNA)
where:
Base-Base interactions energy: -364.350
where: short stacking energy: -148.973
Base-Backbone interact. energy: -1.276
local terms energy: -145.080346
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -29.519
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -37.311
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -524.524587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.524587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.615221 (E_RNA)
where:
Base-Base interactions energy: -371.928
where: short stacking energy: -154.355
Base-Backbone interact. energy: -0.368
local terms energy: -152.319065
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -37.524
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -504.079105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.079105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.111953 (E_RNA)
where:
Base-Base interactions energy: -351.346
where: short stacking energy: -142.497
Base-Backbone interact. energy: -0.373
local terms energy: -152.392938
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -34.729
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -517.222136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.222136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.384268 (E_RNA)
where:
Base-Base interactions energy: -361.589
where: short stacking energy: -147.614
Base-Backbone interact. energy: -0.574
local terms energy: -155.220691
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -26.555
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -474.228622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.228622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.322273 (E_RNA)
where:
Base-Base interactions energy: -340.145
where: short stacking energy: -137.310
Base-Backbone interact. energy: 0.721
local terms energy: -134.898136
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -32.871
flat angles P-C4'-P energy: -24.729
tors. eta vs tors. theta energy: -30.869
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -421.016519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.016519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.690424 (E_RNA)
where:
Base-Base interactions energy: -298.617
where: short stacking energy: -115.148
Base-Backbone interact. energy: 1.627
local terms energy: -132.700338
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -23.455
flat angles C4'-P-C4' energy: -29.388
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -30.312
Dist. restrs. and SS energy: 8.674 (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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -370.384637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.384637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.684108 (E_RNA)
where:
Base-Base interactions energy: -263.746
where: short stacking energy: -107.129
Base-Backbone interact. energy: 7.055
local terms energy: -117.993308
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -28.718
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -387.877635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.877635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.222660 (E_RNA)
where:
Base-Base interactions energy: -267.873
where: short stacking energy: -100.956
Base-Backbone interact. energy: -0.015
local terms energy: -126.334466
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -24.422
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: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -360.820489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.820489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.024041 (E_RNA)
where:
Base-Base interactions energy: -255.647
where: short stacking energy: -94.633
Base-Backbone interact. energy: 2.289
local terms energy: -111.665659
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -24.874
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 4.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -339.480954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.480954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.853127 (E_RNA)
where:
Base-Base interactions energy: -254.029
where: short stacking energy: -116.359
Base-Backbone interact. energy: -0.073
local terms energy: -96.751342
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 11.372 (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: 52
Temperature: 0.900000
Total energy: -532.883572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.883572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.110157 (E_RNA)
where:
Base-Base interactions energy: -373.129
where: short stacking energy: -152.645
Base-Backbone interact. energy: -0.031
local terms energy: -159.949629
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.227 (S_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: -501.420987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.420987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.592023 (E_RNA)
where:
Base-Base interactions energy: -346.805
where: short stacking energy: -139.667
Base-Backbone interact. energy: -0.774
local terms energy: -154.013358
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -32.415
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -512.360860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.360860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.399347 (E_RNA)
where:
Base-Base interactions energy: -369.278
where: short stacking energy: -143.034
Base-Backbone interact. energy: -0.469
local terms energy: -142.653020
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -36.370
Dist. restrs. and SS energy: 0.038 (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: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -492.988938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.988938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.091637 (E_RNA)
where:
Base-Base interactions energy: -356.353
where: short stacking energy: -144.635
Base-Backbone interact. energy: -0.092
local terms energy: -136.647111
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -25.931
flat angles P-C4'-P energy: -20.769
tors. eta vs tors. theta energy: -36.546
Dist. restrs. and SS energy: 0.103 (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: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -496.359484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.359484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.192870 (E_RNA)
where:
Base-Base interactions energy: -354.929
where: short stacking energy: -132.624
Base-Backbone interact. energy: 0.128
local terms energy: -142.392443
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -31.975
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -30.976
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -428.884602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.884602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.045925 (E_RNA)
where:
Base-Base interactions energy: -316.986
where: short stacking energy: -128.258
Base-Backbone interact. energy: -1.406
local terms energy: -123.653698
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 13.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -377.383028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.621195 (E_RNA)
where:
Base-Base interactions energy: -267.191
where: short stacking energy: -103.419
Base-Backbone interact. energy: 1.573
local terms energy: -117.003679
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 5.238 (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: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -377.649025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.649025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.504636 (E_RNA)
where:
Base-Base interactions energy: -264.122
where: short stacking energy: -106.492
Base-Backbone interact. energy: -0.395
local terms energy: -125.987970
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -27.784
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 12.856 (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: 52
Temperature: 1.300000
Total energy: -369.669313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.669313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.765257 (E_RNA)
where:
Base-Base interactions energy: -265.671
where: short stacking energy: -106.418
Base-Backbone interact. energy: -1.515
local terms energy: -114.579190
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -23.957
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 12.096 (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: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -355.353548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.353548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.236628 (E_RNA)
where:
Base-Base interactions energy: -243.115
where: short stacking energy: -91.748
Base-Backbone interact. energy: 0.727
local terms energy: -116.848605
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -25.347
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: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -535.729941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.729941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.738699 (E_RNA)
where:
Base-Base interactions energy: -382.577
where: short stacking energy: -163.483
Base-Backbone interact. energy: -0.403
local terms energy: -152.758738
where:
bonds (distance) C4'-P energy: -28.754
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -37.779
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -537.974504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.974504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.057837 (E_RNA)
where:
Base-Base interactions energy: -383.843
where: short stacking energy: -142.297
Base-Backbone interact. energy: -0.702
local terms energy: -153.512558
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -40.171
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -510.799342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.799342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.890614 (E_RNA)
where:
Base-Base interactions energy: -362.813
where: short stacking energy: -151.995
Base-Backbone interact. energy: -0.286
local terms energy: -147.791170
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -40.048
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -503.870298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.870298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.075878 (E_RNA)
where:
Base-Base interactions energy: -357.513
where: short stacking energy: -134.138
Base-Backbone interact. energy: -0.500
local terms energy: -146.062818
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -35.458
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -493.827891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.827891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.045298 (E_RNA)
where:
Base-Base interactions energy: -354.980
where: short stacking energy: -153.908
Base-Backbone interact. energy: -0.797
local terms energy: -138.267717
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -25.891
flat angles C4'-P-C4' energy: -28.787
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -41.585
Dist. restrs. and SS energy: 0.217 (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: 53
Temperature: 1.150000
Total energy: -427.347819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.347819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.959644 (E_RNA)
where:
Base-Base interactions energy: -318.522
where: short stacking energy: -117.616
Base-Backbone interact. energy: 1.107
local terms energy: -118.544035
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 8.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -372.957330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.957330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.993870 (E_RNA)
where:
Base-Base interactions energy: -269.619
where: short stacking energy: -102.530
Base-Backbone interact. energy: -1.190
local terms energy: -113.184227
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 11.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -346.315831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.315831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.284279 (E_RNA)
where:
Base-Base interactions energy: -257.244
where: short stacking energy: -107.081
Base-Backbone interact. energy: -0.478
local terms energy: -93.562917
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 4.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -363.992252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.992252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.191261 (E_RNA)
where:
Base-Base interactions energy: -269.614
where: short stacking energy: -104.207
Base-Backbone interact. energy: 2.534
local terms energy: -102.111023
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 5.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -333.409345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.409345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.669295 (E_RNA)
where:
Base-Base interactions energy: -243.768
where: short stacking energy: -85.068
Base-Backbone interact. energy: -0.900
local terms energy: -92.000921
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -546.265440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.265440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.519288 (E_RNA)
where:
Base-Base interactions energy: -385.933
where: short stacking energy: -158.624
Base-Backbone interact. energy: -0.656
local terms energy: -159.930529
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -531.879045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.879045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.937051 (E_RNA)
where:
Base-Base interactions energy: -379.118
where: short stacking energy: -156.830
Base-Backbone interact. energy: -0.257
local terms energy: -152.562920
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -41.159
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -512.168260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.168260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.621719 (E_RNA)
where:
Base-Base interactions energy: -363.592
where: short stacking energy: -132.229
Base-Backbone interact. energy: -0.746
local terms energy: -148.283469
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -28.996
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -37.848
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: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -480.908597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.908597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.523419 (E_RNA)
where:
Base-Base interactions energy: -346.121
where: short stacking energy: -139.267
Base-Backbone interact. energy: -0.486
local terms energy: -134.915794
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -24.237
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -40.518
Dist. restrs. and SS energy: 0.615 (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: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -476.838178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.838178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.317327 (E_RNA)
where:
Base-Base interactions energy: -335.522
where: short stacking energy: -140.826
Base-Backbone interact. energy: -0.456
local terms energy: -141.340003
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -29.609
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -32.488
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -426.078793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.078793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.979156 (E_RNA)
where:
Base-Base interactions energy: -330.267
where: short stacking energy: -126.962
Base-Backbone interact. energy: -0.701
local terms energy: -108.010612
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 12.900 (S_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: 54
Temperature: 1.200000
Total energy: -377.975758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.975758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.650044 (E_RNA)
where:
Base-Base interactions energy: -274.885
where: short stacking energy: -102.651
Base-Backbone interact. energy: -0.792
local terms energy: -109.972651
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 7.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -358.260623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.260623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.312035 (E_RNA)
where:
Base-Base interactions energy: -262.086
where: short stacking energy: -104.963
Base-Backbone interact. energy: -1.064
local terms energy: -101.161850
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -25.474
Dist. restrs. and SS energy: 6.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -370.485615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.485615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.798868 (E_RNA)
where:
Base-Base interactions energy: -258.812
where: short stacking energy: -107.895
Base-Backbone interact. energy: -0.527
local terms energy: -117.459567
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 6.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -365.188032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.188032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.572003 (E_RNA)
where:
Base-Base interactions energy: -258.855
where: short stacking energy: -104.721
Base-Backbone interact. energy: -0.179
local terms energy: -111.538730
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -32.676
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 5.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -545.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.637029 (E_RNA)
where:
Base-Base interactions energy: -385.506
where: short stacking energy: -155.563
Base-Backbone interact. energy: 0.516
local terms energy: -160.646604
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -524.966227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.966227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.094031 (E_RNA)
where:
Base-Base interactions energy: -375.925
where: short stacking energy: -153.900
Base-Backbone interact. energy: -0.074
local terms energy: -149.094821
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -39.453
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -521.082383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.082383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.146772 (E_RNA)
where:
Base-Base interactions energy: -378.602
where: short stacking energy: -149.751
Base-Backbone interact. energy: 0.858
local terms energy: -143.403237
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -38.756
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -480.986276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.986276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.156597 (E_RNA)
where:
Base-Base interactions energy: -339.865
where: short stacking energy: -142.938
Base-Backbone interact. energy: 0.560
local terms energy: -141.851319
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -36.838
Dist. restrs. and SS energy: 0.170 (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: 55
Temperature: 1.100000
Total energy: -498.447368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.447368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.717456 (E_RNA)
where:
Base-Base interactions energy: -350.669
where: short stacking energy: -139.151
Base-Backbone interact. energy: -0.483
local terms energy: -147.565342
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.270 (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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -437.297840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.297840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.605015 (E_RNA)
where:
Base-Base interactions energy: -321.742
where: short stacking energy: -130.502
Base-Backbone interact. energy: -0.685
local terms energy: -123.177501
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -35.095
Dist. restrs. and SS energy: 8.307 (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: 55
Temperature: 1.200000
Total energy: -370.841251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.841251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.447508 (E_RNA)
where:
Base-Base interactions energy: -250.641
where: short stacking energy: -90.360
Base-Backbone interact. energy: -0.445
local terms energy: -126.361891
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -23.228
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -393.855840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.855840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.466528 (E_RNA)
where:
Base-Base interactions energy: -276.046
where: short stacking energy: -103.662
Base-Backbone interact. energy: 5.340
local terms energy: -124.760246
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -358.379817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.379817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.200940 (E_RNA)
where:
Base-Base interactions energy: -251.256
where: short stacking energy: -96.396
Base-Backbone interact. energy: -0.818
local terms energy: -111.127250
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -375.773658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.773658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.712792 (E_RNA)
where:
Base-Base interactions energy: -267.355
where: short stacking energy: -103.544
Base-Backbone interact. energy: 3.402
local terms energy: -115.759793
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -529.098924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.098924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.207976 (E_RNA)
where:
Base-Base interactions energy: -377.947
where: short stacking energy: -160.939
Base-Backbone interact. energy: -0.721
local terms energy: -150.540012
where:
bonds (distance) C4'-P energy: -25.851
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -39.020
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -531.082547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.082547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.229282 (E_RNA)
where:
Base-Base interactions energy: -372.897
where: short stacking energy: -143.938
Base-Backbone interact. energy: -0.558
local terms energy: -157.773834
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -39.802
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -517.976295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.976295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.278854 (E_RNA)
where:
Base-Base interactions energy: -352.794
where: short stacking energy: -148.784
Base-Backbone interact. energy: -0.233
local terms energy: -165.251854
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -33.059
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -26.660
tors. eta vs tors. theta energy: -42.560
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -493.209804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.209804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.398543 (E_RNA)
where:
Base-Base interactions energy: -356.447
where: short stacking energy: -152.591
Base-Backbone interact. energy: -0.589
local terms energy: -136.363023
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -26.809
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -32.884
Dist. restrs. and SS energy: 0.189 (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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -497.780950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.780950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.885204 (E_RNA)
where:
Base-Base interactions energy: -372.555
where: short stacking energy: -156.909
Base-Backbone interact. energy: -0.139
local terms energy: -125.191474
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -37.100
Dist. restrs. and SS energy: 0.104 (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: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -445.890570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.890570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.357569 (E_RNA)
where:
Base-Base interactions energy: -313.705
where: short stacking energy: -112.149
Base-Backbone interact. energy: -0.832
local terms energy: -139.820604
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -29.330
Dist. restrs. and SS energy: 8.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -417.430229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.430229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.417016 (E_RNA)
where:
Base-Base interactions energy: -304.340
where: short stacking energy: -118.304
Base-Backbone interact. energy: -1.479
local terms energy: -113.598047
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -29.310
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: 8, replica: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -365.165113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.165113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.040409 (E_RNA)
where:
Base-Base interactions energy: -256.565
where: short stacking energy: -98.914
Base-Backbone interact. energy: -0.576
local terms energy: -115.899353
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -21.180
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: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -388.162224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.162224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.912585 (E_RNA)
where:
Base-Base interactions energy: -267.386
where: short stacking energy: -105.843
Base-Backbone interact. energy: -0.596
local terms energy: -122.929996
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 2.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -330.063861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.485089 (E_RNA)
where:
Base-Base interactions energy: -226.962
where: short stacking energy: -87.509
Base-Backbone interact. energy: -0.465
local terms energy: -111.057339
where:
bonds (distance) C4'-P energy: -26.000
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 8.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -539.264662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.264662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.272966 (E_RNA)
where:
Base-Base interactions energy: -381.069
where: short stacking energy: -155.510
Base-Backbone interact. energy: -0.348
local terms energy: -157.856761
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -38.765
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -510.381463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.381463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.987687 (E_RNA)
where:
Base-Base interactions energy: -353.898
where: short stacking energy: -145.416
Base-Backbone interact. energy: -0.597
local terms energy: -156.492719
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -43.170
Dist. restrs. and SS energy: 0.606 (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: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -505.211101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.211101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.423407 (E_RNA)
where:
Base-Base interactions energy: -357.291
where: short stacking energy: -144.052
Base-Backbone interact. energy: -2.346
local terms energy: -145.785959
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -38.389
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -488.111022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.111022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.293147 (E_RNA)
where:
Base-Base interactions energy: -342.993
where: short stacking energy: -137.191
Base-Backbone interact. energy: -0.244
local terms energy: -145.056221
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -37.339
Dist. restrs. and SS energy: 0.182 (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: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -493.518139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.518139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.748707 (E_RNA)
where:
Base-Base interactions energy: -350.173
where: short stacking energy: -146.824
Base-Backbone interact. energy: -0.249
local terms energy: -143.327117
where:
bonds (distance) C4'-P energy: -32.378
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: -39.959
Dist. restrs. and SS energy: 0.231 (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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -434.055288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.055288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.811679 (E_RNA)
where:
Base-Base interactions energy: -301.991
where: short stacking energy: -118.290
Base-Backbone interact. energy: -0.615
local terms energy: -141.205951
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -29.814
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -33.606
Dist. restrs. and SS energy: 9.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -437.579848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.579848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.533027 (E_RNA)
where:
Base-Base interactions energy: -313.288
where: short stacking energy: -131.416
Base-Backbone interact. energy: -0.465
local terms energy: -126.780081
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -35.455
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: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -388.374891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.374891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.367453 (E_RNA)
where:
Base-Base interactions energy: -257.912
where: short stacking energy: -106.239
Base-Backbone interact. energy: 1.290
local terms energy: -133.744997
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -26.589
Dist. restrs. and SS energy: 1.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -350.495995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.495995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.970968 (E_RNA)
where:
Base-Base interactions energy: -247.994
where: short stacking energy: -100.235
Base-Backbone interact. energy: -0.367
local terms energy: -109.609395
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -28.192
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -312.820059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.820059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.544128 (E_RNA)
where:
Base-Base interactions energy: -225.771
where: short stacking energy: -74.305
Base-Backbone interact. energy: 1.092
local terms energy: -94.864725
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 6.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -521.533115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.533115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.624884 (E_RNA)
where:
Base-Base interactions energy: -369.130
where: short stacking energy: -136.472
Base-Backbone interact. energy: -1.290
local terms energy: -151.204515
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -30.616
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.092 (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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -524.018963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.018963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.271911 (E_RNA)
where:
Base-Base interactions energy: -377.629
where: short stacking energy: -155.667
Base-Backbone interact. energy: -0.606
local terms energy: -146.037450
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -27.732
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -43.367
Dist. restrs. and SS energy: 0.253 (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: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -497.146952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.146952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.444173 (E_RNA)
where:
Base-Base interactions energy: -357.409
where: short stacking energy: -142.447
Base-Backbone interact. energy: 0.775
local terms energy: -140.811017
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -35.351
Dist. restrs. and SS energy: 0.297 (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: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -498.266838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.266838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.501650 (E_RNA)
where:
Base-Base interactions energy: -353.453
where: short stacking energy: -144.671
Base-Backbone interact. energy: -0.646
local terms energy: -144.402560
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -27.456
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -35.101
Dist. restrs. and SS energy: 0.235 (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: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -471.942187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.942187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.200692 (E_RNA)
where:
Base-Base interactions energy: -346.904
where: short stacking energy: -145.962
Base-Backbone interact. energy: -0.524
local terms energy: -124.772411
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -436.629919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.158288 (E_RNA)
where:
Base-Base interactions energy: -320.005
where: short stacking energy: -128.543
Base-Backbone interact. energy: 1.755
local terms energy: -125.907934
where:
bonds (distance) C4'-P energy: -25.259
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -31.914
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -35.575
Dist. restrs. and SS energy: 7.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -447.938539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.938539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.615377 (E_RNA)
where:
Base-Base interactions energy: -309.925
where: short stacking energy: -132.415
Base-Backbone interact. energy: -0.052
local terms energy: -139.638785
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -27.360
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -32.812
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: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -392.695374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.695374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.245844 (E_RNA)
where:
Base-Base interactions energy: -265.935
where: short stacking energy: -114.018
Base-Backbone interact. energy: 2.651
local terms energy: -130.961592
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -34.888
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: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -347.224438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.224438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.133847 (E_RNA)
where:
Base-Base interactions energy: -259.819
where: short stacking energy: -100.586
Base-Backbone interact. energy: 0.472
local terms energy: -95.786890
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 7.909 (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: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -323.132183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.132183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.128312 (E_RNA)
where:
Base-Base interactions energy: -234.308
where: short stacking energy: -90.195
Base-Backbone interact. energy: 0.387
local terms energy: -96.207030
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 6.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -524.917666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.917666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.416891 (E_RNA)
where:
Base-Base interactions energy: -361.894
where: short stacking energy: -154.612
Base-Backbone interact. energy: -0.465
local terms energy: -163.058525
where:
bonds (distance) C4'-P energy: -30.972
bonds (distance) P-C4' energy: -29.070
flat angles C4'-P-C4' energy: -36.174
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -41.765
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -516.580272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.580272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.684498 (E_RNA)
where:
Base-Base interactions energy: -375.789
where: short stacking energy: -141.199
Base-Backbone interact. energy: -0.105
local terms energy: -140.789647
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -38.786
Dist. restrs. and SS energy: 0.104 (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: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -500.305593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.305593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.775380 (E_RNA)
where:
Base-Base interactions energy: -355.197
where: short stacking energy: -141.267
Base-Backbone interact. energy: -0.756
local terms energy: -144.822644
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -506.996109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.996109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.202650 (E_RNA)
where:
Base-Base interactions energy: -359.541
where: short stacking energy: -151.157
Base-Backbone interact. energy: -0.483
local terms energy: -147.178380
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -39.139
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -484.211024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.211024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.475372 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -145.044
Base-Backbone interact. energy: -1.849
local terms energy: -138.382574
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -37.273
Dist. restrs. and SS energy: 0.264 (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: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -428.724021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.724021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.587161 (E_RNA)
where:
Base-Base interactions energy: -309.488
where: short stacking energy: -116.970
Base-Backbone interact. energy: -1.022
local terms energy: -119.077282
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -29.634
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -28.946
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -431.019646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.019646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.678669 (E_RNA)
where:
Base-Base interactions energy: -314.315
where: short stacking energy: -134.783
Base-Backbone interact. energy: 3.151
local terms energy: -128.514851
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 8.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -385.217248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.217248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.756546 (E_RNA)
where:
Base-Base interactions energy: -269.280
where: short stacking energy: -110.537
Base-Backbone interact. energy: -1.178
local terms energy: -119.299020
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -26.139
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -30.455
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: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -357.817833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.817833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.560366 (E_RNA)
where:
Base-Base interactions energy: -250.398
where: short stacking energy: -91.638
Base-Backbone interact. energy: -0.037
local terms energy: -114.126053
where:
bonds (distance) C4'-P energy: -26.915
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 6.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -334.094360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.094360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.510719 (E_RNA)
where:
Base-Base interactions energy: -229.350
where: short stacking energy: -74.755
Base-Backbone interact. energy: -1.255
local terms energy: -108.905232
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 5.416 (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: 60
Temperature: 0.900000
Total energy: -530.772063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.772063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.856771 (E_RNA)
where:
Base-Base interactions energy: -369.927
where: short stacking energy: -152.912
Base-Backbone interact. energy: 1.844
local terms energy: -162.774030
where:
bonds (distance) C4'-P energy: -35.308
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -37.546
Dist. restrs. and SS energy: 0.085 (S_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: 60
Temperature: 0.950000
Total energy: -528.104140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.302513 (E_RNA)
where:
Base-Base interactions energy: -367.207
where: short stacking energy: -162.827
Base-Backbone interact. energy: -0.269
local terms energy: -160.826133
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -33.285
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -44.093
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -507.918059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.918059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.552742 (E_RNA)
where:
Base-Base interactions energy: -358.629
where: short stacking energy: -154.921
Base-Backbone interact. energy: -0.493
local terms energy: -149.430779
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -28.309
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -38.402
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -496.345900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.345900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.840733 (E_RNA)
where:
Base-Base interactions energy: -345.161
where: short stacking energy: -140.089
Base-Backbone interact. energy: -0.538
local terms energy: -151.141829
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -35.530
Dist. restrs. and SS energy: 0.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -494.722486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.722486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.855008 (E_RNA)
where:
Base-Base interactions energy: -350.476
where: short stacking energy: -152.390
Base-Backbone interact. energy: 0.245
local terms energy: -144.624722
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -35.071
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -40.846
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -454.362556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.362556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.787461 (E_RNA)
where:
Base-Base interactions energy: -324.842
where: short stacking energy: -122.539
Base-Backbone interact. energy: -1.394
local terms energy: -128.551869
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -28.168
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -29.995
Dist. restrs. and SS energy: 0.425 (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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -426.431227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.031727 (E_RNA)
where:
Base-Base interactions energy: -309.814
where: short stacking energy: -126.972
Base-Backbone interact. energy: -0.513
local terms energy: -126.704778
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -31.943
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -32.252
Dist. restrs. and SS energy: 10.601 (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: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -380.907876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.907876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.583744 (E_RNA)
where:
Base-Base interactions energy: -256.126
where: short stacking energy: -107.714
Base-Backbone interact. energy: 0.397
local terms energy: -128.855485
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -25.143
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: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -323.454814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.454814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.719968 (E_RNA)
where:
Base-Base interactions energy: -219.885
where: short stacking energy: -79.330
Base-Backbone interact. energy: -0.373
local terms energy: -109.462041
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -16.940
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: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -309.780261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.142698 (E_RNA)
where:
Base-Base interactions energy: -227.639
where: short stacking energy: -81.205
Base-Backbone interact. energy: -0.071
local terms energy: -92.432614
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 10.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -534.768438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.768438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.876990 (E_RNA)
where:
Base-Base interactions energy: -374.093
where: short stacking energy: -154.735
Base-Backbone interact. energy: 0.153
local terms energy: -160.936663
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -46.493
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -524.040456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.040456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.428975 (E_RNA)
where:
Base-Base interactions energy: -375.785
where: short stacking energy: -150.583
Base-Backbone interact. energy: 0.545
local terms energy: -149.188943
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -24.231
tors. eta vs tors. theta energy: -40.053
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: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -517.250164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.250164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.581044 (E_RNA)
where:
Base-Base interactions energy: -364.068
where: short stacking energy: -147.634
Base-Backbone interact. energy: -0.791
local terms energy: -152.721491
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -40.729
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -509.184456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.184456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.467994 (E_RNA)
where:
Base-Base interactions energy: -347.594
where: short stacking energy: -149.921
Base-Backbone interact. energy: -0.315
local terms energy: -161.558884
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -25.508
tors. eta vs tors. theta energy: -42.172
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -488.199147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.199147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.506783 (E_RNA)
where:
Base-Base interactions energy: -355.605
where: short stacking energy: -138.034
Base-Backbone interact. energy: -0.619
local terms energy: -132.282651
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -446.105821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.105821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.334787 (E_RNA)
where:
Base-Base interactions energy: -323.844
where: short stacking energy: -123.440
Base-Backbone interact. energy: 3.318
local terms energy: -125.809135
where:
bonds (distance) C4'-P energy: -24.310
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -20.601
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.229 (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: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -428.566766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.566766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.835776 (E_RNA)
where:
Base-Base interactions energy: -298.448
where: short stacking energy: -126.941
Base-Backbone interact. energy: -0.438
local terms energy: -139.949898
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -35.173
Dist. restrs. and SS energy: 10.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -392.609272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.609272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.300183 (E_RNA)
where:
Base-Base interactions energy: -276.758
where: short stacking energy: -105.399
Base-Backbone interact. energy: -1.803
local terms energy: -116.738982
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -28.949
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -21.878
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: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -322.076084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.076084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.637604 (E_RNA)
where:
Base-Base interactions energy: -227.610
where: short stacking energy: -91.598
Base-Backbone interact. energy: -0.361
local terms energy: -105.666523
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 11.562 (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: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -318.449342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.449342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.847399 (E_RNA)
where:
Base-Base interactions energy: -219.111
where: short stacking energy: -83.183
Base-Backbone interact. energy: -0.303
local terms energy: -107.433936
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 8.398 (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: 62
Temperature: 0.900000
Total energy: -533.601363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.601363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.695269 (E_RNA)
where:
Base-Base interactions energy: -382.089
where: short stacking energy: -154.474
Base-Backbone interact. energy: -0.480
local terms energy: -151.125867
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -42.126
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -518.511629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.511629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.581966 (E_RNA)
where:
Base-Base interactions energy: -365.514
where: short stacking energy: -154.307
Base-Backbone interact. energy: -0.484
local terms energy: -152.583414
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -29.987
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -38.285
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -503.450793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.450793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.718103 (E_RNA)
where:
Base-Base interactions energy: -355.298
where: short stacking energy: -153.836
Base-Backbone interact. energy: 1.318
local terms energy: -149.737908
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -512.249702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.249702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.374707 (E_RNA)
where:
Base-Base interactions energy: -368.827
where: short stacking energy: -152.593
Base-Backbone interact. energy: -1.257
local terms energy: -142.290867
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -37.223
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -493.465592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.465592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.736089 (E_RNA)
where:
Base-Base interactions energy: -357.057
where: short stacking energy: -144.601
Base-Backbone interact. energy: 2.323
local terms energy: -139.001366
where:
bonds (distance) C4'-P energy: -27.774
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -33.300
Dist. restrs. and SS energy: 0.270 (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: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -475.924624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.924624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.639405 (E_RNA)
where:
Base-Base interactions energy: -335.263
where: short stacking energy: -137.055
Base-Backbone interact. energy: -0.794
local terms energy: -140.582430
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -33.528
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -34.850
Dist. restrs. and SS energy: 0.715 (S_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: 62
Temperature: 1.200000
Total energy: -429.035746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.035746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.816118 (E_RNA)
where:
Base-Base interactions energy: -307.470
where: short stacking energy: -123.518
Base-Backbone interact. energy: 0.368
local terms energy: -123.713866
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -397.615251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.615251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.015618 (E_RNA)
where:
Base-Base interactions energy: -287.302
where: short stacking energy: -112.155
Base-Backbone interact. energy: -0.869
local terms energy: -121.844204
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -28.549
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 12.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -347.573065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.573065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.012796 (E_RNA)
where:
Base-Base interactions energy: -249.143
where: short stacking energy: -98.815
Base-Backbone interact. energy: -1.520
local terms energy: -108.349728
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -26.888
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: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -327.243380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.243380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.231671 (E_RNA)
where:
Base-Base interactions energy: -226.738
where: short stacking energy: -90.975
Base-Backbone interact. energy: -1.279
local terms energy: -104.214760
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -21.882
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -17.120
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: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -535.055154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.282000 (E_RNA)
where:
Base-Base interactions energy: -376.496
where: short stacking energy: -160.204
Base-Backbone interact. energy: -0.552
local terms energy: -158.234277
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -41.774
Dist. restrs. and SS energy: 0.227 (S_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: 63
Temperature: 0.950000
Total energy: -518.568974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.568974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.043401 (E_RNA)
where:
Base-Base interactions energy: -365.370
where: short stacking energy: -159.032
Base-Backbone interact. energy: -0.565
local terms energy: -153.108910
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.474 (S_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: 63
Temperature: 1.000000
Total energy: -526.103031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.103031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.451130 (E_RNA)
where:
Base-Base interactions energy: -370.844
where: short stacking energy: -154.038
Base-Backbone interact. energy: -0.288
local terms energy: -155.319409
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.348 (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: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -490.760312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.760312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.965254 (E_RNA)
where:
Base-Base interactions energy: -353.405
where: short stacking energy: -149.962
Base-Backbone interact. energy: -0.510
local terms energy: -137.049977
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -515.230159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.230159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.383234 (E_RNA)
where:
Base-Base interactions energy: -366.359
where: short stacking energy: -145.755
Base-Backbone interact. energy: 1.551
local terms energy: -150.575415
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -26.064
flat angles C4'-P-C4' energy: -33.659
flat angles P-C4'-P energy: -28.583
tors. eta vs tors. theta energy: -39.279
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -476.368338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.368338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.203386 (E_RNA)
where:
Base-Base interactions energy: -334.499
where: short stacking energy: -135.674
Base-Backbone interact. energy: -0.977
local terms energy: -141.727456
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -404.356296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.356296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.509776 (E_RNA)
where:
Base-Base interactions energy: -275.346
where: short stacking energy: -116.380
Base-Backbone interact. energy: -0.732
local terms energy: -131.432147
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -37.215
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -432.235278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.235278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.644202 (E_RNA)
where:
Base-Base interactions energy: -313.419
where: short stacking energy: -121.812
Base-Backbone interact. energy: -0.374
local terms energy: -125.851738
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: 7.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -354.614385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.614385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.782300 (E_RNA)
where:
Base-Base interactions energy: -248.396
where: short stacking energy: -97.058
Base-Backbone interact. energy: 0.336
local terms energy: -112.722080
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 6.168 (S_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: 63
Temperature: 1.350000
Total energy: -333.906372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.906372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.347857 (E_RNA)
where:
Base-Base interactions energy: -225.478
where: short stacking energy: -77.935
Base-Backbone interact. energy: -0.451
local terms energy: -118.418639
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -30.621
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 10.441 (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: 64
Temperature: 0.900000
Total energy: -519.546741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.546741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.729004 (E_RNA)
where:
Base-Base interactions energy: -362.104
where: short stacking energy: -148.941
Base-Backbone interact. energy: -1.404
local terms energy: -156.220633
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -528.761576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.761576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.994943 (E_RNA)
where:
Base-Base interactions energy: -369.520
where: short stacking energy: -154.949
Base-Backbone interact. energy: -0.324
local terms energy: -159.150617
where:
bonds (distance) C4'-P energy: -24.798
bonds (distance) P-C4' energy: -30.220
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -41.137
Dist. restrs. and SS energy: 0.233 (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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -521.328686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.328686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.409814 (E_RNA)
where:
Base-Base interactions energy: -360.365
where: short stacking energy: -152.619
Base-Backbone interact. energy: -0.485
local terms energy: -160.560268
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -482.753456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.753456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.097635 (E_RNA)
where:
Base-Base interactions energy: -341.384
where: short stacking energy: -138.259
Base-Backbone interact. energy: -0.335
local terms energy: -141.379124
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -494.577096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.577096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.931298 (E_RNA)
where:
Base-Base interactions energy: -343.453
where: short stacking energy: -145.719
Base-Backbone interact. energy: 1.796
local terms energy: -153.274656
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -30.711
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -476.574994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.574994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.758693 (E_RNA)
where:
Base-Base interactions energy: -341.867
where: short stacking energy: -131.608
Base-Backbone interact. energy: -0.488
local terms energy: -134.402998
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -433.857690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.857690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.961687 (E_RNA)
where:
Base-Base interactions energy: -318.204
where: short stacking energy: -120.695
Base-Backbone interact. energy: -0.481
local terms energy: -123.277016
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -32.803
Dist. restrs. and SS energy: 8.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -394.730487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.730487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.445347 (E_RNA)
where:
Base-Base interactions energy: -267.897
where: short stacking energy: -113.257
Base-Backbone interact. energy: 0.238
local terms energy: -130.786202
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -28.673
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -332.707084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.707084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.259616 (E_RNA)
where:
Base-Base interactions energy: -234.215
where: short stacking energy: -82.003
Base-Backbone interact. energy: -0.787
local terms energy: -103.257214
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 5.553 (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: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -338.225041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.225041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.832817 (E_RNA)
where:
Base-Base interactions energy: -237.803
where: short stacking energy: -101.199
Base-Backbone interact. energy: 1.784
local terms energy: -107.814182
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -22.187
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -536.222783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.222783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.349138 (E_RNA)
where:
Base-Base interactions energy: -380.141
where: short stacking energy: -154.388
Base-Backbone interact. energy: -2.229
local terms energy: -153.979407
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -43.193
Dist. restrs. and SS energy: 0.126 (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: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -515.940285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.940285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.171244 (E_RNA)
where:
Base-Base interactions energy: -357.064
where: short stacking energy: -145.693
Base-Backbone interact. energy: -0.556
local terms energy: -158.551603
where:
bonds (distance) C4'-P energy: -29.549
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -41.300
Dist. restrs. and SS energy: 0.231 (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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -516.073914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.073914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.741965 (E_RNA)
where:
Base-Base interactions energy: -362.728
where: short stacking energy: -135.650
Base-Backbone interact. energy: -1.503
local terms energy: -152.510578
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -36.726
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -490.740440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.740440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.865027 (E_RNA)
where:
Base-Base interactions energy: -347.502
where: short stacking energy: -133.880
Base-Backbone interact. energy: 0.332
local terms energy: -143.695278
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -35.227
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -479.264179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.264179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.670148 (E_RNA)
where:
Base-Base interactions energy: -337.387
where: short stacking energy: -137.051
Base-Backbone interact. energy: -0.337
local terms energy: -141.945805
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -21.946
tors. eta vs tors. theta energy: -33.233
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -483.784987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.784987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.999052 (E_RNA)
where:
Base-Base interactions energy: -344.254
where: short stacking energy: -134.017
Base-Backbone interact. energy: -0.533
local terms energy: -139.213002
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -23.242
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -35.343
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -420.305622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.305622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.851787 (E_RNA)
where:
Base-Base interactions energy: -299.460
where: short stacking energy: -110.292
Base-Backbone interact. energy: -0.901
local terms energy: -128.491077
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 8.546 (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: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -365.389172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.389172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.993057 (E_RNA)
where:
Base-Base interactions energy: -253.659
where: short stacking energy: -97.525
Base-Backbone interact. energy: 6.639
local terms energy: -121.973462
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -362.665361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.665361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.476483 (E_RNA)
where:
Base-Base interactions energy: -255.257
where: short stacking energy: -102.468
Base-Backbone interact. energy: -1.079
local terms energy: -111.139937
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -23.571
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: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -314.034288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.109204 (E_RNA)
where:
Base-Base interactions energy: -237.601
where: short stacking energy: -102.833
Base-Backbone interact. energy: -1.819
local terms energy: -86.689148
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 12.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -539.302543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.302543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.352965 (E_RNA)
where:
Base-Base interactions energy: -378.088
where: short stacking energy: -162.615
Base-Backbone interact. energy: -0.507
local terms energy: -160.757941
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -45.019
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -528.344722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.344722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.592001 (E_RNA)
where:
Base-Base interactions energy: -370.584
where: short stacking energy: -151.190
Base-Backbone interact. energy: -0.332
local terms energy: -157.675606
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -32.837
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -40.434
Dist. restrs. and SS energy: 0.247 (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: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -524.840339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.840339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.928855 (E_RNA)
where:
Base-Base interactions energy: -363.631
where: short stacking energy: -143.511
Base-Backbone interact. energy: -0.402
local terms energy: -160.895102
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -35.255
flat angles C4'-P-C4' energy: -36.770
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -37.725
Dist. restrs. and SS energy: 0.089 (S_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: -496.538048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.538048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.765839 (E_RNA)
where:
Base-Base interactions energy: -367.569
where: short stacking energy: -148.704
Base-Backbone interact. energy: 5.364
local terms energy: -134.560791
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -23.066
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -36.180
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -486.599784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.599784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.645054 (E_RNA)
where:
Base-Base interactions energy: -341.051
where: short stacking energy: -130.983
Base-Backbone interact. energy: 0.167
local terms energy: -145.761480
where:
bonds (distance) C4'-P energy: -27.761
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -37.008
Dist. restrs. and SS energy: 0.045 (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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -494.831842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.831842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.986229 (E_RNA)
where:
Base-Base interactions energy: -357.405
where: short stacking energy: -145.651
Base-Backbone interact. energy: -0.811
local terms energy: -136.769889
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -36.678
Dist. restrs. and SS energy: 0.154 (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: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -425.777567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.777567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.384326 (E_RNA)
where:
Base-Base interactions energy: -304.208
where: short stacking energy: -116.389
Base-Backbone interact. energy: 0.087
local terms energy: -130.263738
where:
bonds (distance) C4'-P energy: -31.923
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 8.607 (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: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -350.433073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.433073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.978424 (E_RNA)
where:
Base-Base interactions energy: -247.867
where: short stacking energy: -92.350
Base-Backbone interact. energy: 1.103
local terms energy: -112.214113
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 8.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -369.912913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.912913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.835704 (E_RNA)
where:
Base-Base interactions energy: -266.739
where: short stacking energy: -120.159
Base-Backbone interact. energy: 0.143
local terms energy: -109.240603
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -27.315
Dist. restrs. and SS energy: 5.923 (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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -307.359090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.359090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.014757 (E_RNA)
where:
Base-Base interactions energy: -222.523
where: short stacking energy: -81.951
Base-Backbone interact. energy: -0.675
local terms energy: -87.816799
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -11.128
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: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -542.311459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.311459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.401609 (E_RNA)
where:
Base-Base interactions energy: -372.831
where: short stacking energy: -158.225
Base-Backbone interact. energy: -0.885
local terms energy: -168.685568
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.090 (S_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: 67
Temperature: 0.950000
Total energy: -530.354283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.354283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.411011 (E_RNA)
where:
Base-Base interactions energy: -375.297
where: short stacking energy: -154.348
Base-Backbone interact. energy: 0.414
local terms energy: -155.528199
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -43.324
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -524.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.478627 (E_RNA)
where:
Base-Base interactions energy: -364.071
where: short stacking energy: -147.503
Base-Backbone interact. energy: -0.414
local terms energy: -159.993228
where:
bonds (distance) C4'-P energy: -30.591
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -40.721
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -497.599121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.599121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.710502 (E_RNA)
where:
Base-Base interactions energy: -349.310
where: short stacking energy: -131.883
Base-Backbone interact. energy: -0.623
local terms energy: -147.777499
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -31.357
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.111 (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: 67
Temperature: 1.100000
Total energy: -500.588833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.588833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.756208 (E_RNA)
where:
Base-Base interactions energy: -354.612
where: short stacking energy: -140.567
Base-Backbone interact. energy: -0.944
local terms energy: -145.200626
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -32.611
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 0.167 (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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -438.499108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.499108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.104762 (E_RNA)
where:
Base-Base interactions energy: -316.352
where: short stacking energy: -125.543
Base-Backbone interact. energy: 1.145
local terms energy: -132.897716
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -28.717
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -28.892
Dist. restrs. and SS energy: 9.606 (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: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -473.424250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.424250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.620138 (E_RNA)
where:
Base-Base interactions energy: -337.365
where: short stacking energy: -142.080
Base-Backbone interact. energy: 1.396
local terms energy: -137.651132
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -34.382
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -392.840999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.840999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.281245 (E_RNA)
where:
Base-Base interactions energy: -267.496
where: short stacking energy: -114.252
Base-Backbone interact. energy: -2.082
local terms energy: -127.702623
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -29.289
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: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -364.325164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.325164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.055654 (E_RNA)
where:
Base-Base interactions energy: -259.778
where: short stacking energy: -102.520
Base-Backbone interact. energy: -0.291
local terms energy: -115.987002
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -25.531
Dist. restrs. and SS energy: 11.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -286.381922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.381922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.575054 (E_RNA)
where:
Base-Base interactions energy: -208.010
where: short stacking energy: -77.833
Base-Backbone interact. energy: -0.887
local terms energy: -93.678022
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.311
Dist. restrs. and SS energy: 16.193 (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: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -525.070151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.070151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.210285 (E_RNA)
where:
Base-Base interactions energy: -373.252
where: short stacking energy: -146.793
Base-Backbone interact. energy: -0.750
local terms energy: -151.208332
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -30.451
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -522.022209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.022209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.363249 (E_RNA)
where:
Base-Base interactions energy: -370.533
where: short stacking energy: -157.935
Base-Backbone interact. energy: 0.102
local terms energy: -151.932221
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -41.636
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -519.202812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.202812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.566453 (E_RNA)
where:
Base-Base interactions energy: -372.684
where: short stacking energy: -159.860
Base-Backbone interact. energy: -0.249
local terms energy: -146.633719
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -39.931
Dist. restrs. and SS energy: 0.364 (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: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -500.404267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.404267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.416081 (E_RNA)
where:
Base-Base interactions energy: -361.218
where: short stacking energy: -151.528
Base-Backbone interact. energy: -1.221
local terms energy: -137.976973
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -39.728
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -482.329373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.329373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.376941 (E_RNA)
where:
Base-Base interactions energy: -335.787
where: short stacking energy: -127.132
Base-Backbone interact. energy: -0.455
local terms energy: -146.134901
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -31.848
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -443.385297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.385297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.024956 (E_RNA)
where:
Base-Base interactions energy: -313.879
where: short stacking energy: -130.196
Base-Backbone interact. energy: -1.640
local terms energy: -136.506037
where:
bonds (distance) C4'-P energy: -21.698
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -20.204
tors. eta vs tors. theta energy: -34.427
Dist. restrs. and SS energy: 8.640 (S_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: 68
Temperature: 1.200000
Total energy: -444.606088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.606088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.243511 (E_RNA)
where:
Base-Base interactions energy: -316.665
where: short stacking energy: -127.114
Base-Backbone interact. energy: -0.507
local terms energy: -128.071517
where:
bonds (distance) C4'-P energy: -24.811
bonds (distance) P-C4' energy: -29.183
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -33.565
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -384.674385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.674385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.881452 (E_RNA)
where:
Base-Base interactions energy: -263.468
where: short stacking energy: -112.561
Base-Backbone interact. energy: -0.677
local terms energy: -124.736191
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -28.470
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: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -349.709960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.709960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.688162 (E_RNA)
where:
Base-Base interactions energy: -243.866
where: short stacking energy: -115.130
Base-Backbone interact. energy: 2.160
local terms energy: -119.981224
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 11.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -320.073060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.073060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.737919 (E_RNA)
where:
Base-Base interactions energy: -217.945
where: short stacking energy: -79.127
Base-Backbone interact. energy: 1.672
local terms energy: -109.464737
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -18.553
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: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -534.715058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.715058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.925302 (E_RNA)
where:
Base-Base interactions energy: -384.660
where: short stacking energy: -162.722
Base-Backbone interact. energy: 1.489
local terms energy: -151.754663
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -41.416
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -523.217116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.217116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.718010 (E_RNA)
where:
Base-Base interactions energy: -372.915
where: short stacking energy: -147.705
Base-Backbone interact. energy: -3.516
local terms energy: -147.286616
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -518.580708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.580708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.759827 (E_RNA)
where:
Base-Base interactions energy: -370.703
where: short stacking energy: -148.376
Base-Backbone interact. energy: -1.079
local terms energy: -146.977703
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -38.590
Dist. restrs. and SS energy: 0.179 (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: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -511.976453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.976453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.094448 (E_RNA)
where:
Base-Base interactions energy: -364.725
where: short stacking energy: -150.779
Base-Backbone interact. energy: -1.207
local terms energy: -146.161911
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -39.242
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -510.405748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.405748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.474257 (E_RNA)
where:
Base-Base interactions energy: -356.732
where: short stacking energy: -147.614
Base-Backbone interact. energy: -0.883
local terms energy: -152.859498
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -40.954
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -445.739970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.739970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.052703 (E_RNA)
where:
Base-Base interactions energy: -326.413
where: short stacking energy: -121.291
Base-Backbone interact. energy: -0.360
local terms energy: -119.280426
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -423.704789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.704789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.007567 (E_RNA)
where:
Base-Base interactions energy: -310.187
where: short stacking energy: -124.451
Base-Backbone interact. energy: -0.022
local terms energy: -124.799001
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 11.303 (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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -395.014817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.014817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.985606 (E_RNA)
where:
Base-Base interactions energy: -283.107
where: short stacking energy: -121.806
Base-Backbone interact. energy: -0.558
local terms energy: -125.320954
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 13.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -345.559095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.559095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.020907 (E_RNA)
where:
Base-Base interactions energy: -243.554
where: short stacking energy: -89.985
Base-Backbone interact. energy: -0.222
local terms energy: -106.244986
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 4.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -322.735461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.735461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.603544 (E_RNA)
where:
Base-Base interactions energy: -235.917
where: short stacking energy: -94.141
Base-Backbone interact. energy: -1.371
local terms energy: -100.315998
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 14.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -530.943492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.943492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.362270 (E_RNA)
where:
Base-Base interactions energy: -369.572
where: short stacking energy: -156.021
Base-Backbone interact. energy: 0.488
local terms energy: -162.278457
where:
bonds (distance) C4'-P energy: -29.524
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -36.196
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -527.492737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.492737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.550497 (E_RNA)
where:
Base-Base interactions energy: -371.368
where: short stacking energy: -160.152
Base-Backbone interact. energy: -0.278
local terms energy: -155.904999
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -34.012
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -42.230
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -513.881436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.881436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.924512 (E_RNA)
where:
Base-Base interactions energy: -359.860
where: short stacking energy: -138.726
Base-Backbone interact. energy: -0.379
local terms energy: -153.685488
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -32.779
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -41.323
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -486.783152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.783152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.170399 (E_RNA)
where:
Base-Base interactions energy: -335.648
where: short stacking energy: -131.887
Base-Backbone interact. energy: -0.407
local terms energy: -151.115324
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -27.788
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -33.149
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -497.954613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.954613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.204270 (E_RNA)
where:
Base-Base interactions energy: -349.716
where: short stacking energy: -135.043
Base-Backbone interact. energy: -1.337
local terms energy: -147.150473
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -38.079
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -460.570650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.687593 (E_RNA)
where:
Base-Base interactions energy: -325.786
where: short stacking energy: -142.555
Base-Backbone interact. energy: -0.781
local terms energy: -134.120991
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -38.510
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -387.171852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.171852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.574119 (E_RNA)
where:
Base-Base interactions energy: -280.804
where: short stacking energy: -107.013
Base-Backbone interact. energy: -0.397
local terms energy: -118.372836
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 12.402 (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: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -357.972144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.972144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.910707 (E_RNA)
where:
Base-Base interactions energy: -261.485
where: short stacking energy: -106.780
Base-Backbone interact. energy: 0.079
local terms energy: -103.504884
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 6.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -334.861241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.861241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.393876 (E_RNA)
where:
Base-Base interactions energy: -213.525
where: short stacking energy: -83.073
Base-Backbone interact. energy: -0.380
local terms energy: -127.487981
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 6.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -341.098065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.098065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.789295 (E_RNA)
where:
Base-Base interactions energy: -236.655
where: short stacking energy: -86.333
Base-Backbone interact. energy: -0.394
local terms energy: -106.740478
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -19.579
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: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -536.656112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.656112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.684235 (E_RNA)
where:
Base-Base interactions energy: -373.986
where: short stacking energy: -159.588
Base-Backbone interact. energy: -0.118
local terms energy: -162.580389
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -40.565
Dist. restrs. and SS energy: 0.028 (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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -535.876104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.876104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.223018 (E_RNA)
where:
Base-Base interactions energy: -379.606
where: short stacking energy: -156.200
Base-Backbone interact. energy: -0.436
local terms energy: -156.181187
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -27.607
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -40.961
Dist. restrs. and SS energy: 0.347 (S_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: 71
Temperature: 1.000000
Total energy: -505.165047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.165047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.461814 (E_RNA)
where:
Base-Base interactions energy: -355.806
where: short stacking energy: -141.288
Base-Backbone interact. energy: -1.092
local terms energy: -148.563964
where:
bonds (distance) C4'-P energy: -28.431
bonds (distance) P-C4' energy: -29.109
flat angles C4'-P-C4' energy: -33.974
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -37.033
Dist. restrs. and SS energy: 0.297 (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: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -509.750326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.750326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.163645 (E_RNA)
where:
Base-Base interactions energy: -359.814
where: short stacking energy: -152.165
Base-Backbone interact. energy: -0.373
local terms energy: -149.977116
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -25.831
tors. eta vs tors. theta energy: -38.230
Dist. restrs. and SS energy: 0.413 (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: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -475.463395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.463395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.798885 (E_RNA)
where:
Base-Base interactions energy: -339.255
where: short stacking energy: -139.417
Base-Backbone interact. energy: -0.529
local terms energy: -136.014641
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.335 (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: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -450.457275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.457275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.630918 (E_RNA)
where:
Base-Base interactions energy: -326.295
where: short stacking energy: -126.169
Base-Backbone interact. energy: 2.435
local terms energy: -126.770729
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -27.658
Dist. restrs. and SS energy: 0.174 (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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -372.313729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.313729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.444677 (E_RNA)
where:
Base-Base interactions energy: -271.121
where: short stacking energy: -112.405
Base-Backbone interact. energy: -0.415
local terms energy: -110.908780
where:
bonds (distance) C4'-P energy: -23.296
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 10.131 (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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -383.622453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.622453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.043335 (E_RNA)
where:
Base-Base interactions energy: -276.063
where: short stacking energy: -106.381
Base-Backbone interact. energy: 0.536
local terms energy: -111.516840
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -25.078
Dist. restrs. and SS energy: 3.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -376.674004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.674004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.524578 (E_RNA)
where:
Base-Base interactions energy: -277.787
where: short stacking energy: -118.676
Base-Backbone interact. energy: -0.628
local terms energy: -101.109413
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -22.170
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: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -357.667623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.667623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.533770 (E_RNA)
where:
Base-Base interactions energy: -258.816
where: short stacking energy: -107.437
Base-Backbone interact. energy: -0.368
local terms energy: -100.349132
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -27.053
Dist. restrs. and SS energy: 1.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -542.522078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.522078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.550440 (E_RNA)
where:
Base-Base interactions energy: -384.284
where: short stacking energy: -154.629
Base-Backbone interact. energy: -0.386
local terms energy: -157.879786
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -33.709
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -38.093
Dist. restrs. and SS energy: 0.028 (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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -528.608721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.608721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.642346 (E_RNA)
where:
Base-Base interactions energy: -372.996
where: short stacking energy: -145.553
Base-Backbone interact. energy: -0.923
local terms energy: -154.723882
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.034 (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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -509.865277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.865277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.098788 (E_RNA)
where:
Base-Base interactions energy: -359.075
where: short stacking energy: -145.788
Base-Backbone interact. energy: 0.041
local terms energy: -151.065225
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -19.054
tors. eta vs tors. theta energy: -42.878
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -497.070175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.070175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.481038 (E_RNA)
where:
Base-Base interactions energy: -346.313
where: short stacking energy: -130.953
Base-Backbone interact. energy: -0.644
local terms energy: -150.524579
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -462.352970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.352970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.422868 (E_RNA)
where:
Base-Base interactions energy: -335.397
where: short stacking energy: -130.065
Base-Backbone interact. energy: -1.044
local terms energy: -125.981800
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -460.546867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.546867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.819660 (E_RNA)
where:
Base-Base interactions energy: -330.488
where: short stacking energy: -121.025
Base-Backbone interact. energy: 1.474
local terms energy: -131.805719
where:
bonds (distance) C4'-P energy: -24.409
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -32.027
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -400.473049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.473049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.961889 (E_RNA)
where:
Base-Base interactions energy: -281.123
where: short stacking energy: -106.719
Base-Backbone interact. energy: -1.293
local terms energy: -123.545856
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -22.332
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: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -376.161780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.161780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.851973 (E_RNA)
where:
Base-Base interactions energy: -260.458
where: short stacking energy: -107.743
Base-Backbone interact. energy: -0.648
local terms energy: -130.745656
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 15.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -379.887761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.887761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.101383 (E_RNA)
where:
Base-Base interactions energy: -262.289
where: short stacking energy: -110.801
Base-Backbone interact. energy: -0.073
local terms energy: -123.740209
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -24.873
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: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -359.174477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.174477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.756826 (E_RNA)
where:
Base-Base interactions energy: -266.095
where: short stacking energy: -100.624
Base-Backbone interact. energy: -1.054
local terms energy: -94.608574
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 2.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -541.674438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.674438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.792551 (E_RNA)
where:
Base-Base interactions energy: -388.241
where: short stacking energy: -149.468
Base-Backbone interact. energy: -0.305
local terms energy: -153.246621
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -36.707
Dist. restrs. and SS energy: 0.118 (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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -528.989526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.989526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.064822 (E_RNA)
where:
Base-Base interactions energy: -378.585
where: short stacking energy: -145.479
Base-Backbone interact. energy: 0.105
local terms energy: -150.585108
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -32.895
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -37.089
Dist. restrs. and SS energy: 0.075 (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: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -520.520998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.520998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.759357 (E_RNA)
where:
Base-Base interactions energy: -377.537
where: short stacking energy: -150.299
Base-Backbone interact. energy: 0.980
local terms energy: -144.202499
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -40.214
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -481.427827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.427827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.687299 (E_RNA)
where:
Base-Base interactions energy: -343.297
where: short stacking energy: -137.756
Base-Backbone interact. energy: -0.205
local terms energy: -138.185361
where:
bonds (distance) C4'-P energy: -31.288
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -483.531800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.531800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.696221 (E_RNA)
where:
Base-Base interactions energy: -352.677
where: short stacking energy: -143.654
Base-Backbone interact. energy: -0.389
local terms energy: -130.629764
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -32.987
Dist. restrs. and SS energy: 0.164 (S_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: 73
Temperature: 1.150000
Total energy: -479.473962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.473962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.962920 (E_RNA)
where:
Base-Base interactions energy: -335.113
where: short stacking energy: -136.072
Base-Backbone interact. energy: -1.288
local terms energy: -143.562006
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -36.956
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -382.762467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.762467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.065912 (E_RNA)
where:
Base-Base interactions energy: -271.169
where: short stacking energy: -107.954
Base-Backbone interact. energy: -1.155
local terms energy: -116.742587
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -26.809
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 6.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -388.685695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.685695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.877990 (E_RNA)
where:
Base-Base interactions energy: -289.690
where: short stacking energy: -108.865
Base-Backbone interact. energy: 1.200
local terms energy: -106.387966
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -29.100
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: 73
Temperature: 1.300000
Total energy: -381.108786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.108786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.323587 (E_RNA)
where:
Base-Base interactions energy: -257.586
where: short stacking energy: -99.372
Base-Backbone interact. energy: -0.400
local terms energy: -129.338280
where:
bonds (distance) C4'-P energy: -22.859
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -23.145
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: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -345.086625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.086625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.708868 (E_RNA)
where:
Base-Base interactions energy: -246.007
where: short stacking energy: -94.122
Base-Backbone interact. energy: -2.538
local terms energy: -104.164016
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -20.857
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 7.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -539.798814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.798814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.974614 (E_RNA)
where:
Base-Base interactions energy: -381.266
where: short stacking energy: -156.465
Base-Backbone interact. energy: 0.108
local terms energy: -158.816497
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -27.930
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -40.752
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -537.172321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.172321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.409030 (E_RNA)
where:
Base-Base interactions energy: -375.564
where: short stacking energy: -147.173
Base-Backbone interact. energy: -0.695
local terms energy: -161.150617
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -33.776
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -24.709
tors. eta vs tors. theta energy: -39.899
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. 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: -514.566104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.566104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.702644 (E_RNA)
where:
Base-Base interactions energy: -360.720
where: short stacking energy: -153.201
Base-Backbone interact. energy: -0.251
local terms energy: -153.731052
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -474.119676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.119676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.614196 (E_RNA)
where:
Base-Base interactions energy: -348.089
where: short stacking energy: -125.560
Base-Backbone interact. energy: -0.449
local terms energy: -126.076785
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -31.068
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -29.346
Dist. restrs. and SS energy: 0.495 (S_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: 74
Temperature: 1.100000
Total energy: -473.009472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.009472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.511006 (E_RNA)
where:
Base-Base interactions energy: -342.169
where: short stacking energy: -131.272
Base-Backbone interact. energy: -0.487
local terms energy: -130.854455
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -33.050
Dist. restrs. and SS energy: 0.502 (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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -508.905353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.905353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.114124 (E_RNA)
where:
Base-Base interactions energy: -359.316
where: short stacking energy: -142.555
Base-Backbone interact. energy: 0.543
local terms energy: -150.340935
where:
bonds (distance) C4'-P energy: -26.384
bonds (distance) P-C4' energy: -31.681
flat angles C4'-P-C4' energy: -32.264
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -37.185
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -412.243787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.243787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.891551 (E_RNA)
where:
Base-Base interactions energy: -288.429
where: short stacking energy: -123.506
Base-Backbone interact. energy: -0.393
local terms energy: -131.070009
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -24.651
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 7.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -387.943627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.943627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.666906 (E_RNA)
where:
Base-Base interactions energy: -276.352
where: short stacking energy: -104.035
Base-Backbone interact. energy: -1.765
local terms energy: -111.549443
where:
bonds (distance) C4'-P energy: -23.601
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -379.753519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.753519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.926501 (E_RNA)
where:
Base-Base interactions energy: -256.291
where: short stacking energy: -113.946
Base-Backbone interact. energy: 0.722
local terms energy: -129.357322
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -25.269
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -35.325
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: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -343.957494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.045808 (E_RNA)
where:
Base-Base interactions energy: -243.303
where: short stacking energy: -92.593
Base-Backbone interact. energy: 1.057
local terms energy: -112.800165
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -28.199
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 11.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -529.805613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.805613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.210028 (E_RNA)
where:
Base-Base interactions energy: -374.235
where: short stacking energy: -161.836
Base-Backbone interact. energy: 0.091
local terms energy: -156.065693
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -39.686
Dist. restrs. and SS energy: 0.404 (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: 75
Temperature: 0.950000
Total energy: -532.055121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.055121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.138369 (E_RNA)
where:
Base-Base interactions energy: -368.735
where: short stacking energy: -159.536
Base-Backbone interact. energy: -0.584
local terms energy: -162.818859
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.083 (S_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: 75
Temperature: 1.000000
Total energy: -507.622522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.622522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.341476 (E_RNA)
where:
Base-Base interactions energy: -357.731
where: short stacking energy: -142.663
Base-Backbone interact. energy: -0.633
local terms energy: -149.977739
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -30.685
flat angles C4'-P-C4' energy: -34.432
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -40.273
Dist. restrs. and SS energy: 0.719 (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: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -500.456742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.456742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.693760 (E_RNA)
where:
Base-Base interactions energy: -343.644
where: short stacking energy: -153.099
Base-Backbone interact. energy: -0.175
local terms energy: -156.873854
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -20.508
tors. eta vs tors. theta energy: -42.210
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -472.302647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.302647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.911905 (E_RNA)
where:
Base-Base interactions energy: -355.637
where: short stacking energy: -138.374
Base-Backbone interact. energy: 5.537
local terms energy: -122.812229
where:
bonds (distance) C4'-P energy: -29.639
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -31.848
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: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -487.544234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.544234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.738214 (E_RNA)
where:
Base-Base interactions energy: -346.086
where: short stacking energy: -134.152
Base-Backbone interact. energy: -0.537
local terms energy: -141.115117
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.194 (S_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: 75
Temperature: 1.200000
Total energy: -404.702491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.702491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.692622 (E_RNA)
where:
Base-Base interactions energy: -290.164
where: short stacking energy: -118.389
Base-Backbone interact. energy: -0.355
local terms energy: -124.173751
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -30.801
Dist. restrs. and SS energy: 9.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -388.572194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.572194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.082524 (E_RNA)
where:
Base-Base interactions energy: -282.921
where: short stacking energy: -116.239
Base-Backbone interact. energy: 0.556
local terms energy: -108.717718
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 2.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -358.623784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.623784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.009373 (E_RNA)
where:
Base-Base interactions energy: -253.888
where: short stacking energy: -96.852
Base-Backbone interact. energy: -0.336
local terms energy: -115.784936
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 11.386 (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: 75
Temperature: 1.350000
Total energy: -329.507056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.507056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.438158 (E_RNA)
where:
Base-Base interactions energy: -227.153
where: short stacking energy: -86.778
Base-Backbone interact. energy: -1.483
local terms energy: -110.802452
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -28.480
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 9.931 (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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -530.082014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.082014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.152400 (E_RNA)
where:
Base-Base interactions energy: -382.143
where: short stacking energy: -158.646
Base-Backbone interact. energy: -0.483
local terms energy: -147.526835
where:
bonds (distance) C4'-P energy: -27.719
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -38.024
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -517.450513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.450513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.614610 (E_RNA)
where:
Base-Base interactions energy: -371.994
where: short stacking energy: -160.038
Base-Backbone interact. energy: -0.447
local terms energy: -145.173279
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -36.434
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -520.487173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.629091 (E_RNA)
where:
Base-Base interactions energy: -376.437
where: short stacking energy: -154.821
Base-Backbone interact. energy: -0.614
local terms energy: -143.578639
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -35.316
Dist. restrs. and SS energy: 0.142 (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: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -511.197070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.197070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.372582 (E_RNA)
where:
Base-Base interactions energy: -359.652
where: short stacking energy: -150.695
Base-Backbone interact. energy: -0.901
local terms energy: -150.820272
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -482.964747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.964747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.249888 (E_RNA)
where:
Base-Base interactions energy: -342.148
where: short stacking energy: -129.274
Base-Backbone interact. energy: -0.786
local terms energy: -140.315727
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -28.051
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -459.375148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.375148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.546036 (E_RNA)
where:
Base-Base interactions energy: -324.683
where: short stacking energy: -128.405
Base-Backbone interact. energy: -0.912
local terms energy: -133.950728
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -396.170723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.170723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.548636 (E_RNA)
where:
Base-Base interactions energy: -271.963
where: short stacking energy: -105.881
Base-Backbone interact. energy: 2.016
local terms energy: -128.601079
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 2.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -394.962111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.962111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.264526 (E_RNA)
where:
Base-Base interactions energy: -292.145
where: short stacking energy: -107.455
Base-Backbone interact. energy: -1.724
local terms energy: -111.395165
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -28.121
Dist. restrs. and SS energy: 10.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -367.628277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.628277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.290430 (E_RNA)
where:
Base-Base interactions energy: -254.509
where: short stacking energy: -96.277
Base-Backbone interact. energy: 0.191
local terms energy: -115.973273
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -302.049486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.049486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.867878 (E_RNA)
where:
Base-Base interactions energy: -206.468
where: short stacking energy: -81.433
Base-Backbone interact. energy: 0.413
local terms energy: -103.812454
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 7.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -538.540729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.540729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.639797 (E_RNA)
where:
Base-Base interactions energy: -382.248
where: short stacking energy: -153.814
Base-Backbone interact. energy: -0.501
local terms energy: -155.891281
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -34.810
flat angles C4'-P-C4' energy: -31.184
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -39.394
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -530.313368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.313368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.459345 (E_RNA)
where:
Base-Base interactions energy: -371.458
where: short stacking energy: -152.565
Base-Backbone interact. energy: 0.284
local terms energy: -159.284771
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -34.917
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -40.370
Dist. restrs. and SS energy: 0.146 (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: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -516.380430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.380430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.968066 (E_RNA)
where:
Base-Base interactions energy: -366.537
where: short stacking energy: -153.461
Base-Backbone interact. energy: -0.784
local terms energy: -149.646390
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -504.657500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.657500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.812414 (E_RNA)
where:
Base-Base interactions energy: -359.835
where: short stacking energy: -143.608
Base-Backbone interact. energy: 0.455
local terms energy: -145.432473
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -34.973
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -483.066228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.066228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.170370 (E_RNA)
where:
Base-Base interactions energy: -342.296
where: short stacking energy: -144.419
Base-Backbone interact. energy: -0.258
local terms energy: -140.615856
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -23.451
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -39.058
Dist. restrs. and SS energy: 0.104 (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: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -410.632884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.632884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.944230 (E_RNA)
where:
Base-Base interactions energy: -277.702
where: short stacking energy: -106.742
Base-Backbone interact. energy: 0.936
local terms energy: -135.178028
where:
bonds (distance) C4'-P energy: -28.502
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 1.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -430.257220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.257220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.382285 (E_RNA)
where:
Base-Base interactions energy: -308.829
where: short stacking energy: -120.080
Base-Backbone interact. energy: -0.649
local terms energy: -120.905057
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -28.475
Dist. restrs. and SS energy: 0.125 (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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -396.973078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.973078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.174288 (E_RNA)
where:
Base-Base interactions energy: -291.746
where: short stacking energy: -114.923
Base-Backbone interact. energy: -1.056
local terms energy: -113.372092
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -27.753
Dist. restrs. and SS energy: 9.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -356.612455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.612455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.985577 (E_RNA)
where:
Base-Base interactions energy: -268.311
where: short stacking energy: -93.157
Base-Backbone interact. energy: -0.611
local terms energy: -94.062881
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -21.994
Dist. restrs. and SS energy: 6.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -324.826907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.826907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.517468 (E_RNA)
where:
Base-Base interactions energy: -225.006
where: short stacking energy: -88.155
Base-Backbone interact. energy: 4.541
local terms energy: -110.052238
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -19.888
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: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -525.529166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.529166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.641854 (E_RNA)
where:
Base-Base interactions energy: -373.937
where: short stacking energy: -149.471
Base-Backbone interact. energy: -0.339
local terms energy: -151.366082
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -520.158386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.158386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.785834 (E_RNA)
where:
Base-Base interactions energy: -370.904
where: short stacking energy: -149.589
Base-Backbone interact. energy: 0.361
local terms energy: -150.242777
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -35.551
Dist. restrs. and SS energy: 0.627 (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: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -517.287264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.287264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.491694 (E_RNA)
where:
Base-Base interactions energy: -361.789
where: short stacking energy: -141.526
Base-Backbone interact. energy: -0.084
local terms energy: -155.618267
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -24.957
tors. eta vs tors. theta energy: -35.447
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -507.636284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.636284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.179972 (E_RNA)
where:
Base-Base interactions energy: -363.460
where: short stacking energy: -138.557
Base-Backbone interact. energy: -0.266
local terms energy: -144.453303
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.544 (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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -493.279698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.279698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.346826 (E_RNA)
where:
Base-Base interactions energy: -355.035
where: short stacking energy: -138.317
Base-Backbone interact. energy: 0.667
local terms energy: -138.978220
where:
bonds (distance) C4'-P energy: -24.007
bonds (distance) P-C4' energy: -30.828
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -37.242
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -407.846986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.846986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.660690 (E_RNA)
where:
Base-Base interactions energy: -280.444
where: short stacking energy: -109.737
Base-Backbone interact. energy: 0.595
local terms energy: -130.812393
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -30.188
Dist. restrs. and SS energy: 2.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -458.138717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.189101 (E_RNA)
where:
Base-Base interactions energy: -338.338
where: short stacking energy: -131.515
Base-Backbone interact. energy: -0.722
local terms energy: -119.129141
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -34.449
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -394.076830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.076830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.268003 (E_RNA)
where:
Base-Base interactions energy: -277.100
where: short stacking energy: -109.558
Base-Backbone interact. energy: 1.134
local terms energy: -127.301896
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -28.117
Dist. restrs. and SS energy: 9.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -329.772548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.772548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.622074 (E_RNA)
where:
Base-Base interactions energy: -225.846
where: short stacking energy: -98.384
Base-Backbone interact. energy: -0.589
local terms energy: -113.187126
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 9.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -340.120326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.120326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.339763 (E_RNA)
where:
Base-Base interactions energy: -239.378
where: short stacking energy: -87.866
Base-Backbone interact. energy: -0.345
local terms energy: -106.616723
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 6.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -520.775339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.775339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.873081 (E_RNA)
where:
Base-Base interactions energy: -371.239
where: short stacking energy: -151.455
Base-Backbone interact. energy: -0.058
local terms energy: -149.576622
where:
bonds (distance) C4'-P energy: -28.608
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -37.544
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -528.424798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.424798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.527659 (E_RNA)
where:
Base-Base interactions energy: -374.911
where: short stacking energy: -151.057
Base-Backbone interact. energy: -0.686
local terms energy: -152.930454
where:
bonds (distance) C4'-P energy: -34.500
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -520.159425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.159425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.243378 (E_RNA)
where:
Base-Base interactions energy: -362.249
where: short stacking energy: -137.198
Base-Backbone interact. energy: -0.384
local terms energy: -157.610131
where:
bonds (distance) C4'-P energy: -29.468
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -38.543
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -507.313813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.313813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.486385 (E_RNA)
where:
Base-Base interactions energy: -350.038
where: short stacking energy: -146.523
Base-Backbone interact. energy: -0.046
local terms energy: -157.401978
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -41.357
Dist. restrs. and SS energy: 0.173 (S_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: 79
Temperature: 1.100000
Total energy: -471.330433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.330433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.589879 (E_RNA)
where:
Base-Base interactions energy: -343.201
where: short stacking energy: -134.491
Base-Backbone interact. energy: -0.213
local terms energy: -128.176231
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -39.691
Dist. restrs. and SS energy: 0.259 (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: 79
Temperature: 1.150000
Total energy: -450.727013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.727013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.088183 (E_RNA)
where:
Base-Base interactions energy: -321.098
where: short stacking energy: -130.568
Base-Backbone interact. energy: -0.826
local terms energy: -129.164809
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -399.199175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.199175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.216283 (E_RNA)
where:
Base-Base interactions energy: -277.950
where: short stacking energy: -101.772
Base-Backbone interact. energy: -0.982
local terms energy: -123.284084
where:
bonds (distance) C4'-P energy: -31.267
bonds (distance) P-C4' energy: -24.827
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -22.931
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -357.512793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.512793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.675176 (E_RNA)
where:
Base-Base interactions energy: -250.386
where: short stacking energy: -101.172
Base-Backbone interact. energy: 0.050
local terms energy: -110.339651
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 3.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -381.734063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.734063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.278762 (E_RNA)
where:
Base-Base interactions energy: -260.893
where: short stacking energy: -110.363
Base-Backbone interact. energy: -0.965
local terms energy: -127.420714
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -26.300
Dist. restrs. and SS energy: 7.545 (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: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -342.605947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.605947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.979738 (E_RNA)
where:
Base-Base interactions energy: -246.388
where: short stacking energy: -82.096
Base-Backbone interact. energy: -2.005
local terms energy: -97.586980
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -14.455
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: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -524.516076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.516076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.654174 (E_RNA)
where:
Base-Base interactions energy: -373.288
where: short stacking energy: -146.459
Base-Backbone interact. energy: -0.518
local terms energy: -150.848496
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -39.254
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -523.354845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.354845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.562222 (E_RNA)
where:
Base-Base interactions energy: -383.995
where: short stacking energy: -148.158
Base-Backbone interact. energy: -0.677
local terms energy: -138.890590
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: -38.106
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -503.025232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.025232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.052224 (E_RNA)
where:
Base-Base interactions energy: -359.736
where: short stacking energy: -153.946
Base-Backbone interact. energy: -0.003
local terms energy: -143.313500
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -38.839
Dist. restrs. and SS energy: 0.027 (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: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -506.258342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.258342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.617176 (E_RNA)
where:
Base-Base interactions energy: -364.775
where: short stacking energy: -140.477
Base-Backbone interact. energy: -1.245
local terms energy: -140.597564
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -32.372
Dist. restrs. and SS energy: 0.359 (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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -483.549913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.549913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.727103 (E_RNA)
where:
Base-Base interactions energy: -338.013
where: short stacking energy: -136.870
Base-Backbone interact. energy: -0.594
local terms energy: -145.120068
where:
bonds (distance) C4'-P energy: -26.028
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -36.345
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -462.802900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.802900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.009427 (E_RNA)
where:
Base-Base interactions energy: -330.608
where: short stacking energy: -136.014
Base-Backbone interact. energy: 3.127
local terms energy: -135.527804
where:
bonds (distance) C4'-P energy: -28.165
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -30.086
Dist. restrs. and SS energy: 0.207 (S_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: 80
Temperature: 1.200000
Total energy: -412.240399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.240399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.102962 (E_RNA)
where:
Base-Base interactions energy: -280.123
where: short stacking energy: -131.911
Base-Backbone interact. energy: 0.933
local terms energy: -136.913044
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -28.031
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -37.520
Dist. restrs. and SS energy: 3.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -380.096813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.096813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.393686 (E_RNA)
where:
Base-Base interactions energy: -276.724
where: short stacking energy: -107.647
Base-Backbone interact. energy: 2.043
local terms energy: -120.712685
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -33.071
flat angles C4'-P-C4' energy: -24.382
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -27.240
Dist. restrs. and SS energy: 15.297 (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: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -375.061651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.061651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.727083 (E_RNA)
where:
Base-Base interactions energy: -271.473
where: short stacking energy: -97.800
Base-Backbone interact. energy: -1.171
local terms energy: -108.083308
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -22.700
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -25.004
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -370.535335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.535335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.421177 (E_RNA)
where:
Base-Base interactions energy: -262.313
where: short stacking energy: -104.028
Base-Backbone interact. energy: -0.181
local terms energy: -113.926737
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -26.177
Dist. restrs. and SS energy: 5.886 (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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -538.920085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.920085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.926187 (E_RNA)
where:
Base-Base interactions energy: -383.187
where: short stacking energy: -160.084
Base-Backbone interact. energy: -0.295
local terms energy: -155.444188
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -28.096
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -44.928
Dist. restrs. and SS energy: 0.006 (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: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -520.312830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.312830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.755595 (E_RNA)
where:
Base-Base interactions energy: -368.255
where: short stacking energy: -149.717
Base-Backbone interact. energy: -0.794
local terms energy: -151.707287
where:
bonds (distance) C4'-P energy: -30.232
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -497.487460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.487460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.655223 (E_RNA)
where:
Base-Base interactions energy: -350.920
where: short stacking energy: -148.045
Base-Backbone interact. energy: -0.664
local terms energy: -146.070987
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -38.872
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -505.428605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.428605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.486988 (E_RNA)
where:
Base-Base interactions energy: -365.961
where: short stacking energy: -159.303
Base-Backbone interact. energy: 2.749
local terms energy: -142.274238
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -25.858
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -41.863
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -510.026143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.026143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.201950 (E_RNA)
where:
Base-Base interactions energy: -363.570
where: short stacking energy: -145.638
Base-Backbone interact. energy: -0.437
local terms energy: -146.195022
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -31.110
flat angles C4'-P-C4' energy: -31.963
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -40.030
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -453.894742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.894742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.046019 (E_RNA)
where:
Base-Base interactions energy: -331.302
where: short stacking energy: -121.099
Base-Backbone interact. energy: -0.233
local terms energy: -122.511338
where:
bonds (distance) C4'-P energy: -27.317
bonds (distance) P-C4' energy: -29.563
flat angles C4'-P-C4' energy: -24.231
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: 0.151 (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: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -402.492147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.492147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.414812 (E_RNA)
where:
Base-Base interactions energy: -272.469
where: short stacking energy: -106.530
Base-Backbone interact. energy: 0.874
local terms energy: -133.819890
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -28.052
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -27.905
Dist. restrs. and SS energy: 2.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -375.567916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.785029 (E_RNA)
where:
Base-Base interactions energy: -278.295
where: short stacking energy: -95.113
Base-Backbone interact. energy: -0.354
local terms energy: -106.136818
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 9.217 (S_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: 81
Temperature: 1.300000
Total energy: -329.855810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.855810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.332664 (E_RNA)
where:
Base-Base interactions energy: -234.905
where: short stacking energy: -89.990
Base-Backbone interact. energy: -1.881
local terms energy: -97.546900
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 4.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -336.672835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.672835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.684167 (E_RNA)
where:
Base-Base interactions energy: -238.530
where: short stacking energy: -81.614
Base-Backbone interact. energy: 1.068
local terms energy: -100.222065
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 1.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -541.237393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.237393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.796694 (E_RNA)
where:
Base-Base interactions energy: -382.306
where: short stacking energy: -168.203
Base-Backbone interact. energy: -0.349
local terms energy: -159.141727
where:
bonds (distance) C4'-P energy: -29.121
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -43.221
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -502.638824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.638824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.224944 (E_RNA)
where:
Base-Base interactions energy: -351.442
where: short stacking energy: -140.093
Base-Backbone interact. energy: -0.343
local terms energy: -151.440396
where:
bonds (distance) C4'-P energy: -27.853
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -31.139
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -36.798
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -518.942100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.942100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.254100 (E_RNA)
where:
Base-Base interactions energy: -364.957
where: short stacking energy: -152.285
Base-Backbone interact. energy: -0.888
local terms energy: -153.409699
where:
bonds (distance) C4'-P energy: -33.929
bonds (distance) P-C4' energy: -35.300
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -33.581
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -499.812827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.812827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.049168 (E_RNA)
where:
Base-Base interactions energy: -358.104
where: short stacking energy: -140.252
Base-Backbone interact. energy: -0.814
local terms energy: -141.130651
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.236 (S_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: 82
Temperature: 1.100000
Total energy: -491.611271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.611271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.952943 (E_RNA)
where:
Base-Base interactions energy: -349.739
where: short stacking energy: -139.224
Base-Backbone interact. energy: -0.215
local terms energy: -141.999248
where:
bonds (distance) C4'-P energy: -25.466
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -22.432
tors. eta vs tors. theta energy: -39.160
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -458.378570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.378570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.597144 (E_RNA)
where:
Base-Base interactions energy: -335.060
where: short stacking energy: -123.251
Base-Backbone interact. energy: -0.724
local terms energy: -122.813451
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.219 (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: 1
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -388.559722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.559722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.989110 (E_RNA)
where:
Base-Base interactions energy: -279.617
where: short stacking energy: -109.585
Base-Backbone interact. energy: -0.283
local terms energy: -115.088249
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -22.770
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -26.356
Dist. restrs. and SS energy: 6.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -391.175364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.175364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.759618 (E_RNA)
where:
Base-Base interactions energy: -282.730
where: short stacking energy: -112.994
Base-Backbone interact. energy: -0.189
local terms energy: -110.841225
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -360.349823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.349823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.895891 (E_RNA)
where:
Base-Base interactions energy: -256.828
where: short stacking energy: -101.947
Base-Backbone interact. energy: 0.600
local terms energy: -112.668458
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 8.546 (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: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -370.937346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.937346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.426261 (E_RNA)
where:
Base-Base interactions energy: -265.534
where: short stacking energy: -107.162
Base-Backbone interact. energy: 0.868
local terms energy: -109.760048
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -30.187
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: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -538.721152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.721152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.962476 (E_RNA)
where:
Base-Base interactions energy: -379.874
where: short stacking energy: -167.719
Base-Backbone interact. energy: -0.548
local terms energy: -158.541039
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -44.672
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -517.706732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.706732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.972361 (E_RNA)
where:
Base-Base interactions energy: -361.966
where: short stacking energy: -151.414
Base-Backbone interact. energy: -0.284
local terms energy: -155.723256
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -33.516
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -37.875
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -511.310894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.310894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.705740 (E_RNA)
where:
Base-Base interactions energy: -369.663
where: short stacking energy: -153.283
Base-Backbone interact. energy: -1.670
local terms energy: -140.372136
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -42.944
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -513.472780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.472780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.829593 (E_RNA)
where:
Base-Base interactions energy: -361.016
where: short stacking energy: -141.466
Base-Backbone interact. energy: -0.115
local terms energy: -152.698507
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -33.935
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -40.390
Dist. restrs. and SS energy: 0.357 (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: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -490.715869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.715869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.050732 (E_RNA)
where:
Base-Base interactions energy: -350.298
where: short stacking energy: -139.449
Base-Backbone interact. energy: -0.439
local terms energy: -140.313849
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -31.786
Dist. restrs. and SS energy: 0.335 (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: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -482.790312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.790312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.009502 (E_RNA)
where:
Base-Base interactions energy: -344.557
where: short stacking energy: -139.716
Base-Backbone interact. energy: 0.371
local terms energy: -138.823502
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -35.453
Dist. restrs. and SS energy: 0.219 (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: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -380.151062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.151062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.171799 (E_RNA)
where:
Base-Base interactions energy: -276.890
where: short stacking energy: -113.758
Base-Backbone interact. energy: -0.989
local terms energy: -111.292529
where:
bonds (distance) C4'-P energy: -26.855
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -30.121
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -378.873552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.873552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.623087 (E_RNA)
where:
Base-Base interactions energy: -270.436
where: short stacking energy: -100.879
Base-Backbone interact. energy: -0.343
local terms energy: -113.844186
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -23.977
Dist. restrs. and SS energy: 5.750 (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: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -383.808353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.808353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.559364 (E_RNA)
where:
Base-Base interactions energy: -261.036
where: short stacking energy: -104.968
Base-Backbone interact. energy: -0.726
local terms energy: -124.797213
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -30.117
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: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -348.189611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.189611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.218941 (E_RNA)
where:
Base-Base interactions energy: -245.898
where: short stacking energy: -104.158
Base-Backbone interact. energy: -0.526
local terms energy: -108.794080
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -26.013
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 7.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -521.971489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.971489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.038901 (E_RNA)
where:
Base-Base interactions energy: -373.591
where: short stacking energy: -150.810
Base-Backbone interact. energy: -0.507
local terms energy: -147.941128
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -38.491
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -541.157237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.157237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.298458 (E_RNA)
where:
Base-Base interactions energy: -381.726
where: short stacking energy: -149.653
Base-Backbone interact. energy: -0.577
local terms energy: -158.995370
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -40.528
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -523.163335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.163335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.309399 (E_RNA)
where:
Base-Base interactions energy: -364.436
where: short stacking energy: -148.637
Base-Backbone interact. energy: -1.181
local terms energy: -157.692461
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -514.233188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.233188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.540473 (E_RNA)
where:
Base-Base interactions energy: -366.573
where: short stacking energy: -152.508
Base-Backbone interact. energy: 0.405
local terms energy: -148.373231
where:
bonds (distance) C4'-P energy: -27.099
bonds (distance) P-C4' energy: -28.349
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -40.414
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -495.809066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.809066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.853026 (E_RNA)
where:
Base-Base interactions energy: -354.444
where: short stacking energy: -143.985
Base-Backbone interact. energy: -0.455
local terms energy: -140.953555
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -41.506
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -475.600675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.600675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.905623 (E_RNA)
where:
Base-Base interactions energy: -336.461
where: short stacking energy: -134.588
Base-Backbone interact. energy: -0.391
local terms energy: -139.053290
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -32.998
Dist. restrs. and SS energy: 0.305 (S_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: 84
Temperature: 1.200000
Total energy: -403.539645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.539645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.946442 (E_RNA)
where:
Base-Base interactions energy: -285.216
where: short stacking energy: -118.395
Base-Backbone interact. energy: 0.449
local terms energy: -119.179641
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.407 (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: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -374.221399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.221399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.734820 (E_RNA)
where:
Base-Base interactions energy: -268.883
where: short stacking energy: -103.254
Base-Backbone interact. energy: -0.443
local terms energy: -107.408752
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -25.290
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -19.968
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -397.455262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.455262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.472530 (E_RNA)
where:
Base-Base interactions energy: -278.427
where: short stacking energy: -116.484
Base-Backbone interact. energy: -0.301
local terms energy: -125.744700
where:
bonds (distance) C4'-P energy: -24.440
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -28.529
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -30.017
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: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -351.825747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.825747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.937561 (E_RNA)
where:
Base-Base interactions energy: -255.315
where: short stacking energy: -104.796
Base-Backbone interact. energy: 1.591
local terms energy: -101.213499
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -27.258
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: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -519.104515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.104515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.340928 (E_RNA)
where:
Base-Base interactions energy: -365.054
where: short stacking energy: -149.052
Base-Backbone interact. energy: -0.499
local terms energy: -153.787400
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -37.635
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -521.415152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.415152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.477806 (E_RNA)
where:
Base-Base interactions energy: -371.291
where: short stacking energy: -155.086
Base-Backbone interact. energy: -0.251
local terms energy: -149.935481
where:
bonds (distance) C4'-P energy: -28.616
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -42.716
Dist. restrs. and SS energy: 0.063 (S_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: 85
Temperature: 1.000000
Total energy: -516.782377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.782377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.177778 (E_RNA)
where:
Base-Base interactions energy: -363.683
where: short stacking energy: -152.787
Base-Backbone interact. energy: -0.690
local terms energy: -152.805078
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -32.006
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -46.098
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: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -498.205161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.205161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.362343 (E_RNA)
where:
Base-Base interactions energy: -360.985
where: short stacking energy: -144.646
Base-Backbone interact. energy: 1.431
local terms energy: -138.808803
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -31.465
Dist. restrs. and SS energy: 0.157 (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: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -505.249841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.249841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.428279 (E_RNA)
where:
Base-Base interactions energy: -358.021
where: short stacking energy: -141.920
Base-Backbone interact. energy: -0.424
local terms energy: -146.983772
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -38.017
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -483.775245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.775245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.108795 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -134.555
Base-Backbone interact. energy: 0.159
local terms energy: -133.907730
where:
bonds (distance) C4'-P energy: -22.774
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -35.919
Dist. restrs. and SS energy: 0.334 (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: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -392.682805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.682805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.685375 (E_RNA)
where:
Base-Base interactions energy: -276.612
where: short stacking energy: -102.238
Base-Backbone interact. energy: -0.049
local terms energy: -120.024174
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -21.248
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -372.556032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.556032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.068392 (E_RNA)
where:
Base-Base interactions energy: -263.129
where: short stacking energy: -116.585
Base-Backbone interact. energy: 0.321
local terms energy: -116.260945
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -29.692
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -27.735
Dist. restrs. and SS energy: 6.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -390.408643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.629345 (E_RNA)
where:
Base-Base interactions energy: -274.262
where: short stacking energy: -104.721
Base-Backbone interact. energy: -0.156
local terms energy: -118.211469
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -346.616569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.616569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.926201 (E_RNA)
where:
Base-Base interactions energy: -247.392
where: short stacking energy: -102.625
Base-Backbone interact. energy: -0.986
local terms energy: -104.548037
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 6.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -532.118526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.118526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.635121 (E_RNA)
where:
Base-Base interactions energy: -376.666
where: short stacking energy: -141.741
Base-Backbone interact. energy: -0.658
local terms energy: -155.311107
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.517 (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: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -522.621512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.621512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.800258 (E_RNA)
where:
Base-Base interactions energy: -365.457
where: short stacking energy: -152.424
Base-Backbone interact. energy: -0.467
local terms energy: -156.876214
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -28.587
flat angles C4'-P-C4' energy: -36.265
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -41.945
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -523.575531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.575531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.709511 (E_RNA)
where:
Base-Base interactions energy: -361.257
where: short stacking energy: -149.666
Base-Backbone interact. energy: -0.577
local terms energy: -161.875675
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -31.039
flat angles P-C4'-P energy: -26.415
tors. eta vs tors. theta energy: -38.519
Dist. restrs. and SS energy: 0.134 (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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -493.723737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.723737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.876132 (E_RNA)
where:
Base-Base interactions energy: -340.909
where: short stacking energy: -134.140
Base-Backbone interact. energy: -0.867
local terms energy: -152.100360
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -33.400
Dist. restrs. and SS energy: 0.152 (S_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: 86
Temperature: 1.100000
Total energy: -477.307678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.307678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.523590 (E_RNA)
where:
Base-Base interactions energy: -336.821
where: short stacking energy: -128.929
Base-Backbone interact. energy: -0.763
local terms energy: -139.940327
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -25.956
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -30.964
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -467.185460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.363704 (E_RNA)
where:
Base-Base interactions energy: -331.983
where: short stacking energy: -133.743
Base-Backbone interact. energy: -0.402
local terms energy: -134.978158
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -25.709
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -31.967
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -373.437996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.437996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.861223 (E_RNA)
where:
Base-Base interactions energy: -263.612
where: short stacking energy: -105.624
Base-Backbone interact. energy: -0.750
local terms energy: -115.499182
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 6.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -381.727321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.727321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.696786 (E_RNA)
where:
Base-Base interactions energy: -274.949
where: short stacking energy: -102.215
Base-Backbone interact. energy: -0.585
local terms energy: -114.162532
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -18.651
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: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -377.919466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.919466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.176864 (E_RNA)
where:
Base-Base interactions energy: -262.664
where: short stacking energy: -105.441
Base-Backbone interact. energy: 0.006
local terms energy: -117.518504
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -329.051643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.051643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.857131 (E_RNA)
where:
Base-Base interactions energy: -233.750
where: short stacking energy: -87.457
Base-Backbone interact. energy: 2.571
local terms energy: -111.678223
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 13.805 (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: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -533.419316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.419316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.506687 (E_RNA)
where:
Base-Base interactions energy: -375.414
where: short stacking energy: -159.605
Base-Backbone interact. energy: -0.313
local terms energy: -157.780073
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -40.346
Dist. restrs. and SS energy: 0.087 (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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -524.722676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.722676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.800725 (E_RNA)
where:
Base-Base interactions energy: -375.369
where: short stacking energy: -155.609
Base-Backbone interact. energy: -0.201
local terms energy: -149.230832
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -25.656
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -39.701
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -521.684902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.684902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.747037 (E_RNA)
where:
Base-Base interactions energy: -377.564
where: short stacking energy: -143.976
Base-Backbone interact. energy: 1.863
local terms energy: -146.046661
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -39.516
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -496.584019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.584019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.978874 (E_RNA)
where:
Base-Base interactions energy: -355.298
where: short stacking energy: -143.587
Base-Backbone interact. energy: 0.655
local terms energy: -142.335506
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -32.721
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -38.023
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -484.438759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.438759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.554457 (E_RNA)
where:
Base-Base interactions energy: -353.384
where: short stacking energy: -140.185
Base-Backbone interact. energy: 0.542
local terms energy: -131.711749
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -38.761
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -474.573212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.573212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.701414 (E_RNA)
where:
Base-Base interactions energy: -339.182
where: short stacking energy: -130.585
Base-Backbone interact. energy: -0.959
local terms energy: -134.560673
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -32.753
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -380.112841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.112841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.482426 (E_RNA)
where:
Base-Base interactions energy: -261.413
where: short stacking energy: -94.743
Base-Backbone interact. energy: 4.340
local terms energy: -129.408830
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -32.563
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 6.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -373.267032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.267032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.304612 (E_RNA)
where:
Base-Base interactions energy: -275.543
where: short stacking energy: -108.544
Base-Backbone interact. energy: -0.351
local terms energy: -100.410612
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -23.988
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: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -396.196199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.196199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.569931 (E_RNA)
where:
Base-Base interactions energy: -275.339
where: short stacking energy: -111.244
Base-Backbone interact. energy: -0.394
local terms energy: -122.836299
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -25.127
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -28.417
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: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -331.427511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.427511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.237952 (E_RNA)
where:
Base-Base interactions energy: -242.659
where: short stacking energy: -106.305
Base-Backbone interact. energy: 1.970
local terms energy: -105.548429
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 14.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -530.634685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.634685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.647771 (E_RNA)
where:
Base-Base interactions energy: -378.592
where: short stacking energy: -157.123
Base-Backbone interact. energy: -0.608
local terms energy: -151.448392
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -35.563
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -38.932
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -525.596447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.596447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.853237 (E_RNA)
where:
Base-Base interactions energy: -378.100
where: short stacking energy: -153.888
Base-Backbone interact. energy: 1.165
local terms energy: -148.917804
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -33.499
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -40.704
Dist. restrs. and SS energy: 0.257 (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: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -515.184999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.184999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.596818 (E_RNA)
where:
Base-Base interactions energy: -370.042
where: short stacking energy: -148.503
Base-Backbone interact. energy: -0.615
local terms energy: -144.939923
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -38.503
Dist. restrs. and SS energy: 0.412 (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: 88
Temperature: 1.050000
Total energy: -501.598187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.918968 (E_RNA)
where:
Base-Base interactions energy: -353.112
where: short stacking energy: -133.534
Base-Backbone interact. energy: -0.440
local terms energy: -148.367347
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -41.023
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -484.810569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.810569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.955322 (E_RNA)
where:
Base-Base interactions energy: -346.314
where: short stacking energy: -132.349
Base-Backbone interact. energy: 0.543
local terms energy: -139.184210
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -31.119
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -488.392299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.392299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.719965 (E_RNA)
where:
Base-Base interactions energy: -358.252
where: short stacking energy: -140.566
Base-Backbone interact. energy: -0.729
local terms energy: -129.739476
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -389.449930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.763040 (E_RNA)
where:
Base-Base interactions energy: -271.400
where: short stacking energy: -100.678
Base-Backbone interact. energy: -1.194
local terms energy: -122.169187
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -26.910
flat angles C4'-P-C4' energy: -33.893
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -24.147
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -373.037376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.037376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.859890 (E_RNA)
where:
Base-Base interactions energy: -261.863
where: short stacking energy: -112.689
Base-Backbone interact. energy: -1.331
local terms energy: -123.665953
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -23.107
Dist. restrs. and SS energy: 13.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -395.433961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.433961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.546033 (E_RNA)
where:
Base-Base interactions energy: -279.262
where: short stacking energy: -102.427
Base-Backbone interact. energy: 0.359
local terms energy: -118.642768
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -33.217
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -323.930441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.930441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.557083 (E_RNA)
where:
Base-Base interactions energy: -247.532
where: short stacking energy: -96.379
Base-Backbone interact. energy: -2.366
local terms energy: -84.658401
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 10.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -524.943419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.943419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.161282 (E_RNA)
where:
Base-Base interactions energy: -354.985
where: short stacking energy: -146.990
Base-Backbone interact. energy: -2.960
local terms energy: -167.216330
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -23.062
tors. eta vs tors. theta energy: -42.795
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -529.536687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.536687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.811404 (E_RNA)
where:
Base-Base interactions energy: -371.839
where: short stacking energy: -150.161
Base-Backbone interact. energy: -1.222
local terms energy: -156.750222
where:
bonds (distance) C4'-P energy: -30.182
bonds (distance) P-C4' energy: -31.578
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -517.010316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.010316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.293246 (E_RNA)
where:
Base-Base interactions energy: -368.036
where: short stacking energy: -150.140
Base-Backbone interact. energy: -0.403
local terms energy: -148.854133
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -40.162
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -509.822011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.822011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.955771 (E_RNA)
where:
Base-Base interactions energy: -369.066
where: short stacking energy: -154.302
Base-Backbone interact. energy: 3.229
local terms energy: -144.118424
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -41.336
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -489.120975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.120975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.238349 (E_RNA)
where:
Base-Base interactions energy: -348.991
where: short stacking energy: -135.121
Base-Backbone interact. energy: -0.644
local terms energy: -139.603123
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -35.427
Dist. restrs. and SS energy: 0.117 (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: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -464.507675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.507675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.672209 (E_RNA)
where:
Base-Base interactions energy: -321.935
where: short stacking energy: -120.034
Base-Backbone interact. energy: -0.206
local terms energy: -142.530865
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -29.414
Dist. restrs. and SS energy: 0.165 (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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -413.473470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.473470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.774587 (E_RNA)
where:
Base-Base interactions energy: -297.666
where: short stacking energy: -115.537
Base-Backbone interact. energy: 0.218
local terms energy: -119.326863
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -26.953
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: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -400.252209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.280613 (E_RNA)
where:
Base-Base interactions energy: -280.360
where: short stacking energy: -110.090
Base-Backbone interact. energy: -0.464
local terms energy: -122.456977
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -29.580
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -356.718295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.718295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.370747 (E_RNA)
where:
Base-Base interactions energy: -260.220
where: short stacking energy: -114.063
Base-Backbone interact. energy: -0.599
local terms energy: -114.552145
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 18.652 (S_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: 89
Temperature: 1.350000
Total energy: -304.511218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.511218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.020691 (E_RNA)
where:
Base-Base interactions energy: -213.799
where: short stacking energy: -88.388
Base-Backbone interact. energy: 0.286
local terms energy: -104.507716
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 13.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -540.273789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.273789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.467638 (E_RNA)
where:
Base-Base interactions energy: -380.603
where: short stacking energy: -156.840
Base-Backbone interact. energy: -0.334
local terms energy: -159.530809
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -39.344
Dist. restrs. and SS energy: 0.194 (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: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -519.288213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.288213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.683293 (E_RNA)
where:
Base-Base interactions energy: -364.429
where: short stacking energy: -148.434
Base-Backbone interact. energy: -0.642
local terms energy: -154.612642
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -32.869
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -37.263
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: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -512.953411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.953411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.127679 (E_RNA)
where:
Base-Base interactions energy: -369.788
where: short stacking energy: -148.541
Base-Backbone interact. energy: -0.056
local terms energy: -143.283542
where:
bonds (distance) C4'-P energy: -21.790
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -39.688
Dist. restrs. and SS energy: 0.174 (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: 90
Temperature: 1.050000
Total energy: -512.301925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.301925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.392758 (E_RNA)
where:
Base-Base interactions energy: -365.941
where: short stacking energy: -141.028
Base-Backbone interact. energy: 1.084
local terms energy: -147.535425
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -37.273
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -470.090194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.090194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.195175 (E_RNA)
where:
Base-Base interactions energy: -331.990
where: short stacking energy: -132.672
Base-Backbone interact. energy: -0.579
local terms energy: -137.626159
where:
bonds (distance) C4'-P energy: -28.375
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -27.916
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.105 (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: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -475.857565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.857565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.133981 (E_RNA)
where:
Base-Base interactions energy: -342.889
where: short stacking energy: -134.823
Base-Backbone interact. energy: -0.705
local terms energy: -132.540476
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -31.217
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: 0.276 (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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -397.032587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.032587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.742204 (E_RNA)
where:
Base-Base interactions energy: -264.980
where: short stacking energy: -104.393
Base-Backbone interact. energy: 0.623
local terms energy: -135.385682
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -28.796
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 2.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -394.109160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.109160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.569185 (E_RNA)
where:
Base-Base interactions energy: -268.640
where: short stacking energy: -111.053
Base-Backbone interact. energy: -0.280
local terms energy: -128.649252
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -30.100
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -27.548
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: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -344.330852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.330852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.666173 (E_RNA)
where:
Base-Base interactions energy: -242.687
where: short stacking energy: -99.294
Base-Backbone interact. energy: -0.931
local terms energy: -119.048372
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 18.335 (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: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -336.983422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.983422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.266724 (E_RNA)
where:
Base-Base interactions energy: -248.218
where: short stacking energy: -93.776
Base-Backbone interact. energy: -0.523
local terms energy: -89.525023
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 1.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -523.621582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.621582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.666336 (E_RNA)
where:
Base-Base interactions energy: -370.062
where: short stacking energy: -147.646
Base-Backbone interact. energy: -0.231
local terms energy: -153.372557
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -525.832547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.832547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.006496 (E_RNA)
where:
Base-Base interactions energy: -374.001
where: short stacking energy: -141.816
Base-Backbone interact. energy: 0.308
local terms energy: -152.313781
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -33.552
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -37.724
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -503.626386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.626386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.908307 (E_RNA)
where:
Base-Base interactions energy: -352.793
where: short stacking energy: -157.422
Base-Backbone interact. energy: -0.944
local terms energy: -150.171667
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -31.480
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -40.890
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: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -481.131292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.131292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.407265 (E_RNA)
where:
Base-Base interactions energy: -352.949
where: short stacking energy: -139.444
Base-Backbone interact. energy: -0.052
local terms energy: -128.406810
where:
bonds (distance) C4'-P energy: -27.431
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -486.539133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.539133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.987650 (E_RNA)
where:
Base-Base interactions energy: -347.844
where: short stacking energy: -140.013
Base-Backbone interact. energy: -0.649
local terms energy: -138.494433
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -27.053
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -34.971
Dist. restrs. and SS energy: 0.449 (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: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -498.506647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.506647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.785802 (E_RNA)
where:
Base-Base interactions energy: -352.741
where: short stacking energy: -141.881
Base-Backbone interact. energy: 0.370
local terms energy: -146.414535
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -36.331
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -394.106440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.106440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.602031 (E_RNA)
where:
Base-Base interactions energy: -273.939
where: short stacking energy: -105.643
Base-Backbone interact. energy: -0.344
local terms energy: -122.319464
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -25.047
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: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -405.740969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.740969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.674885 (E_RNA)
where:
Base-Base interactions energy: -280.129
where: short stacking energy: -115.740
Base-Backbone interact. energy: 0.557
local terms energy: -132.102781
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -19.741
tors. eta vs tors. theta energy: -34.133
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: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -331.116131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.116131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.867222 (E_RNA)
where:
Base-Base interactions energy: -233.457
where: short stacking energy: -99.999
Base-Backbone interact. energy: 1.534
local terms energy: -103.944832
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -23.539
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: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -365.251971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.251971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.625096 (E_RNA)
where:
Base-Base interactions energy: -265.475
where: short stacking energy: -101.904
Base-Backbone interact. energy: -1.335
local terms energy: -105.815150
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 7.373 (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: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -542.293590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.293590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.837291 (E_RNA)
where:
Base-Base interactions energy: -384.193
where: short stacking energy: -165.384
Base-Backbone interact. energy: 1.536
local terms energy: -160.180032
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -41.479
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -530.451891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.451891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.609654 (E_RNA)
where:
Base-Base interactions energy: -366.976
where: short stacking energy: -147.876
Base-Backbone interact. energy: -0.222
local terms energy: -163.412074
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -41.247
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -511.920389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.920389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.458857 (E_RNA)
where:
Base-Base interactions energy: -352.041
where: short stacking energy: -135.902
Base-Backbone interact. energy: -1.171
local terms energy: -159.247657
where:
bonds (distance) C4'-P energy: -32.621
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -489.872477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.872477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.118878 (E_RNA)
where:
Base-Base interactions energy: -346.061
where: short stacking energy: -143.177
Base-Backbone interact. energy: -0.816
local terms energy: -143.241682
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -26.843
flat angles C4'-P-C4' energy: -30.819
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.246 (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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -499.726448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.726448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.008700 (E_RNA)
where:
Base-Base interactions energy: -349.378
where: short stacking energy: -147.739
Base-Backbone interact. energy: -0.433
local terms energy: -150.197618
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -36.600
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: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -482.906097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.906097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.083230 (E_RNA)
where:
Base-Base interactions energy: -348.618
where: short stacking energy: -146.641
Base-Backbone interact. energy: -0.276
local terms energy: -134.189645
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -27.732
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: -39.170
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -415.216671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.216671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.959314 (E_RNA)
where:
Base-Base interactions energy: -303.584
where: short stacking energy: -130.683
Base-Backbone interact. energy: -0.399
local terms energy: -115.976798
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -31.030
Dist. restrs. and SS energy: 4.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -384.708858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.708858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.078444 (E_RNA)
where:
Base-Base interactions energy: -257.167
where: short stacking energy: -117.763
Base-Backbone interact. energy: 1.411
local terms energy: -131.322509
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 2.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -407.556554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.556554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.005000 (E_RNA)
where:
Base-Base interactions energy: -273.496
where: short stacking energy: -97.412
Base-Backbone interact. energy: 2.000
local terms energy: -136.508642
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -29.909
flat angles C4'-P-C4' energy: -38.071
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -28.595
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: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -306.569978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.569978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.113511 (E_RNA)
where:
Base-Base interactions energy: -205.559
where: short stacking energy: -84.064
Base-Backbone interact. energy: -1.749
local terms energy: -113.805082
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 14.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -542.729962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.729962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.911867 (E_RNA)
where:
Base-Base interactions energy: -385.248
where: short stacking energy: -154.431
Base-Backbone interact. energy: -0.414
local terms energy: -157.249679
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -30.365
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -530.199010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.199010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.284034 (E_RNA)
where:
Base-Base interactions energy: -375.766
where: short stacking energy: -147.183
Base-Backbone interact. energy: 0.610
local terms energy: -155.128424
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -38.807
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -528.071480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.071480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.249594 (E_RNA)
where:
Base-Base interactions energy: -375.333
where: short stacking energy: -146.100
Base-Backbone interact. energy: -0.283
local terms energy: -152.633095
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -40.602
Dist. restrs. and SS energy: 0.178 (S_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: 93
Temperature: 1.050000
Total energy: -512.233782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.233782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.708896 (E_RNA)
where:
Base-Base interactions energy: -352.221
where: short stacking energy: -141.773
Base-Backbone interact. energy: -0.420
local terms energy: -160.067632
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -41.520
Dist. restrs. and SS energy: 0.475 (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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -503.714971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.714971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.812696 (E_RNA)
where:
Base-Base interactions energy: -358.615
where: short stacking energy: -150.576
Base-Backbone interact. energy: -0.941
local terms energy: -144.256285
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -41.640
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -487.827969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.827969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.958286 (E_RNA)
where:
Base-Base interactions energy: -356.685
where: short stacking energy: -147.587
Base-Backbone interact. energy: -0.520
local terms energy: -130.753596
where:
bonds (distance) C4'-P energy: -25.325
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -35.504
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -393.281000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.281000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.551710 (E_RNA)
where:
Base-Base interactions energy: -280.885
where: short stacking energy: -102.116
Base-Backbone interact. energy: 3.911
local terms energy: -117.578062
where:
bonds (distance) C4'-P energy: -27.125
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -32.721
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -432.650577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.650577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.163113 (E_RNA)
where:
Base-Base interactions energy: -302.980
where: short stacking energy: -124.172
Base-Backbone interact. energy: 0.577
local terms energy: -130.759951
where:
bonds (distance) C4'-P energy: -20.311
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -373.626593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.626593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.637242 (E_RNA)
where:
Base-Base interactions energy: -268.164
where: short stacking energy: -108.707
Base-Backbone interact. energy: -0.768
local terms energy: -106.705129
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -24.937
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -348.792594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.792594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.052093 (E_RNA)
where:
Base-Base interactions energy: -254.211
where: short stacking energy: -102.579
Base-Backbone interact. energy: -1.173
local terms energy: -96.668593
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -24.155
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -21.739
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: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -527.528215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.528215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.783242 (E_RNA)
where:
Base-Base interactions energy: -370.613
where: short stacking energy: -145.521
Base-Backbone interact. energy: -0.236
local terms energy: -156.933776
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -40.392
Dist. restrs. and SS energy: 0.255 (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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -532.064317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.064317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.404262 (E_RNA)
where:
Base-Base interactions energy: -376.027
where: short stacking energy: -151.317
Base-Backbone interact. energy: -1.333
local terms energy: -155.043710
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -30.674
flat angles C4'-P-C4' energy: -29.752
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -40.828
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -499.998424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.998424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.034158 (E_RNA)
where:
Base-Base interactions energy: -356.204
where: short stacking energy: -139.744
Base-Backbone interact. energy: -0.229
local terms energy: -143.601938
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -29.510
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.036 (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: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -503.827841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.827841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.929664 (E_RNA)
where:
Base-Base interactions energy: -358.640
where: short stacking energy: -138.958
Base-Backbone interact. energy: -1.131
local terms energy: -144.158079
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: -36.146
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -492.905240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.905240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.333244 (E_RNA)
where:
Base-Base interactions energy: -357.796
where: short stacking energy: -145.025
Base-Backbone interact. energy: 1.770
local terms energy: -137.307062
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -32.723
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: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -478.066509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.066509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.777729 (E_RNA)
where:
Base-Base interactions energy: -339.591
where: short stacking energy: -145.558
Base-Backbone interact. energy: 1.004
local terms energy: -140.189890
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -37.172
Dist. restrs. and SS energy: 0.711 (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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -451.352346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.352346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.996132 (E_RNA)
where:
Base-Base interactions energy: -322.241
where: short stacking energy: -132.092
Base-Backbone interact. energy: -0.736
local terms energy: -129.019144
where:
bonds (distance) C4'-P energy: -23.880
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -30.865
Dist. restrs. and SS energy: 0.644 (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: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -369.054857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.054857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.645770 (E_RNA)
where:
Base-Base interactions energy: -262.758
where: short stacking energy: -97.400
Base-Backbone interact. energy: 0.903
local terms energy: -108.790291
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 1.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -352.066727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.066727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.977622 (E_RNA)
where:
Base-Base interactions energy: -249.773
where: short stacking energy: -88.725
Base-Backbone interact. energy: -0.485
local terms energy: -105.719137
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -16.846
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: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -377.235883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.235883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.158746 (E_RNA)
where:
Base-Base interactions energy: -261.925
where: short stacking energy: -108.417
Base-Backbone interact. energy: -0.365
local terms energy: -116.868400
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -19.178
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -530.303048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.303048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.506805 (E_RNA)
where:
Base-Base interactions energy: -371.045
where: short stacking energy: -156.951
Base-Backbone interact. energy: -2.022
local terms energy: -157.440426
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -536.171569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.171569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.325738 (E_RNA)
where:
Base-Base interactions energy: -386.644
where: short stacking energy: -158.560
Base-Backbone interact. energy: 0.461
local terms energy: -150.142581
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -17.265
tors. eta vs tors. theta energy: -41.977
Dist. restrs. and SS energy: 0.154 (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: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -500.258931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.258931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.436254 (E_RNA)
where:
Base-Base interactions energy: -358.789
where: short stacking energy: -140.160
Base-Backbone interact. energy: -0.279
local terms energy: -141.367502
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -34.811
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -513.923652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.923652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.982545 (E_RNA)
where:
Base-Base interactions energy: -363.530
where: short stacking energy: -155.500
Base-Backbone interact. energy: -2.377
local terms energy: -148.075733
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -478.984121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.984121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.010825 (E_RNA)
where:
Base-Base interactions energy: -343.820
where: short stacking energy: -127.370
Base-Backbone interact. energy: 0.704
local terms energy: -135.894859
where:
bonds (distance) C4'-P energy: -28.086
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -32.267
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -443.341697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.341697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.872585 (E_RNA)
where:
Base-Base interactions energy: -315.583
where: short stacking energy: -119.318
Base-Backbone interact. energy: -0.599
local terms energy: -127.690785
where:
bonds (distance) C4'-P energy: -26.739
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -28.182
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: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -479.162894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.162894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.558248 (E_RNA)
where:
Base-Base interactions energy: -341.967
where: short stacking energy: -136.812
Base-Backbone interact. energy: -0.776
local terms energy: -136.814941
where:
bonds (distance) C4'-P energy: -26.832
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -32.235
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -373.209433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.209433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.030020 (E_RNA)
where:
Base-Base interactions energy: -258.869
where: short stacking energy: -91.947
Base-Backbone interact. energy: 1.083
local terms energy: -120.244663
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 4.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -373.084421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.084421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.345476 (E_RNA)
where:
Base-Base interactions energy: -265.089
where: short stacking energy: -103.761
Base-Backbone interact. energy: 1.055
local terms energy: -112.310911
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -342.855586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.855586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.553564 (E_RNA)
where:
Base-Base interactions energy: -250.950
where: short stacking energy: -95.587
Base-Backbone interact. energy: 1.387
local terms energy: -96.990351
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -15.502
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: 96
Temperature: 0.900000
Total energy: -548.492616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.492616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.765532 (E_RNA)
where:
Base-Base interactions energy: -387.234
where: short stacking energy: -153.131
Base-Backbone interact. energy: -0.241
local terms energy: -161.291290
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -27.535
tors. eta vs tors. theta energy: -37.637
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -516.871761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.999246 (E_RNA)
where:
Base-Base interactions energy: -362.917
where: short stacking energy: -145.375
Base-Backbone interact. energy: -0.652
local terms energy: -153.430474
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -34.858
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -38.061
Dist. restrs. and SS energy: 0.127 (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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -506.963768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.963768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.283431 (E_RNA)
where:
Base-Base interactions energy: -359.723
where: short stacking energy: -142.306
Base-Backbone interact. energy: -0.237
local terms energy: -147.323420
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -37.176
Dist. restrs. and SS energy: 0.320 (S_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: 96
Temperature: 1.050000
Total energy: -495.181492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.181492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.374844 (E_RNA)
where:
Base-Base interactions energy: -351.589
where: short stacking energy: -143.289
Base-Backbone interact. energy: 0.314
local terms energy: -144.100184
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -41.008
Dist. restrs. and SS energy: 0.193 (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: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -488.359596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.359596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.409392 (E_RNA)
where:
Base-Base interactions energy: -346.701
where: short stacking energy: -136.037
Base-Backbone interact. energy: -0.684
local terms energy: -141.023839
where:
bonds (distance) C4'-P energy: -27.252
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -34.929
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -443.406940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.406940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.899262 (E_RNA)
where:
Base-Base interactions energy: -309.402
where: short stacking energy: -121.116
Base-Backbone interact. energy: -0.653
local terms energy: -133.844693
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -29.963
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -28.769
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: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -466.806070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.806070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.325888 (E_RNA)
where:
Base-Base interactions energy: -340.049
where: short stacking energy: -136.081
Base-Backbone interact. energy: -0.990
local terms energy: -126.286457
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -34.829
Dist. restrs. and SS energy: 0.520 (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: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -364.223376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.223376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.752488 (E_RNA)
where:
Base-Base interactions energy: -249.328
where: short stacking energy: -92.804
Base-Backbone interact. energy: 0.173
local terms energy: -117.597157
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 2.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -374.966389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.966389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.778612 (E_RNA)
where:
Base-Base interactions energy: -245.769
where: short stacking energy: -104.919
Base-Backbone interact. energy: 3.459
local terms energy: -135.468155
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -31.946
flat angles C4'-P-C4' energy: -30.719
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -365.833259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.833259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.395708 (E_RNA)
where:
Base-Base interactions energy: -254.236
where: short stacking energy: -95.749
Base-Backbone interact. energy: 0.597
local terms energy: -116.756427
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -32.135
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -26.776
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: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -532.492857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.492857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.644027 (E_RNA)
where:
Base-Base interactions energy: -373.164
where: short stacking energy: -157.947
Base-Backbone interact. energy: -0.531
local terms energy: -158.948586
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -38.716
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -537.182358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.182358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.353700 (E_RNA)
where:
Base-Base interactions energy: -369.174
where: short stacking energy: -162.980
Base-Backbone interact. energy: -1.654
local terms energy: -166.526584
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -34.591
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -45.427
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -520.778313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.778313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.931980 (E_RNA)
where:
Base-Base interactions energy: -376.657
where: short stacking energy: -155.477
Base-Backbone interact. energy: 0.617
local terms energy: -144.891990
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -31.524
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -497.650115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.650115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.146396 (E_RNA)
where:
Base-Base interactions energy: -345.407
where: short stacking energy: -125.846
Base-Backbone interact. energy: 0.913
local terms energy: -153.652597
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -489.247182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.247182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.532497 (E_RNA)
where:
Base-Base interactions energy: -341.793
where: short stacking energy: -139.843
Base-Backbone interact. energy: -0.191
local terms energy: -147.547864
where:
bonds (distance) C4'-P energy: -24.611
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -28.336
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -36.205
Dist. restrs. and SS energy: 0.285 (S_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: 97
Temperature: 1.150000
Total energy: -468.231708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.231708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.737578 (E_RNA)
where:
Base-Base interactions energy: -338.163
where: short stacking energy: -138.349
Base-Backbone interact. energy: -1.010
local terms energy: -129.564476
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -441.076886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.076886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.376411 (E_RNA)
where:
Base-Base interactions energy: -311.962
where: short stacking energy: -125.271
Base-Backbone interact. energy: -0.521
local terms energy: -128.893388
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -30.516
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -393.798785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.798785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.447949 (E_RNA)
where:
Base-Base interactions energy: -269.121
where: short stacking energy: -115.882
Base-Backbone interact. energy: -0.497
local terms energy: -131.829923
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -33.193
Dist. restrs. and SS energy: 7.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -363.693754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.693754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.460551 (E_RNA)
where:
Base-Base interactions energy: -258.731
where: short stacking energy: -111.731
Base-Backbone interact. energy: 3.843
local terms energy: -115.572637
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -32.309
Dist. restrs. and SS energy: 6.767 (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: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -377.355255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.355255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.706599 (E_RNA)
where:
Base-Base interactions energy: -270.748
where: short stacking energy: -108.261
Base-Backbone interact. energy: 1.003
local terms energy: -111.962036
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -24.758
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 4.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -529.311181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.311181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.336445 (E_RNA)
where:
Base-Base interactions energy: -368.218
where: short stacking energy: -147.246
Base-Backbone interact. energy: -0.367
local terms energy: -160.751980
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -40.005
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -540.098860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.098860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.147549 (E_RNA)
where:
Base-Base interactions energy: -380.985
where: short stacking energy: -151.181
Base-Backbone interact. energy: -0.347
local terms energy: -158.815169
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -40.666
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -497.479746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.479746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.728293 (E_RNA)
where:
Base-Base interactions energy: -354.018
where: short stacking energy: -145.506
Base-Backbone interact. energy: 1.292
local terms energy: -145.002913
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -35.536
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -502.245063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.245063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.389238 (E_RNA)
where:
Base-Base interactions energy: -362.183
where: short stacking energy: -143.401
Base-Backbone interact. energy: 5.634
local terms energy: -145.840529
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -39.844
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -500.460936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.460936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.571625 (E_RNA)
where:
Base-Base interactions energy: -356.584
where: short stacking energy: -150.868
Base-Backbone interact. energy: -0.626
local terms energy: -143.361255
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -21.079
tors. eta vs tors. theta energy: -42.363
Dist. restrs. and SS energy: 0.111 (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: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -493.899750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.899750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.445706 (E_RNA)
where:
Base-Base interactions energy: -353.238
where: short stacking energy: -141.041
Base-Backbone interact. energy: -0.405
local terms energy: -140.802955
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -34.376
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -42.821
Dist. restrs. and SS energy: 0.546 (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: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -436.083956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.083956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.207681 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -123.027
Base-Backbone interact. energy: -0.761
local terms energy: -130.009554
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -403.930164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.930164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.258984 (E_RNA)
where:
Base-Base interactions energy: -283.678
where: short stacking energy: -118.028
Base-Backbone interact. energy: 0.135
local terms energy: -125.715340
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -25.294
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -27.601
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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -350.036478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.036478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.580514 (E_RNA)
where:
Base-Base interactions energy: -254.917
where: short stacking energy: -89.779
Base-Backbone interact. energy: 0.062
local terms energy: -105.724995
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 10.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -350.305733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.305733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.150791 (E_RNA)
where:
Base-Base interactions energy: -254.744
where: short stacking energy: -92.854
Base-Backbone interact. energy: -0.094
local terms energy: -100.312894
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -20.769
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -541.182914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.182914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.265718 (E_RNA)
where:
Base-Base interactions energy: -378.870
where: short stacking energy: -159.380
Base-Backbone interact. energy: -1.041
local terms energy: -161.354142
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -42.309
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -528.392027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.392027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.480806 (E_RNA)
where:
Base-Base interactions energy: -376.932
where: short stacking energy: -147.665
Base-Backbone interact. energy: -0.376
local terms energy: -151.172352
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -42.573
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -523.031396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.031396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.228478 (E_RNA)
where:
Base-Base interactions energy: -372.783
where: short stacking energy: -161.365
Base-Backbone interact. energy: -0.785
local terms energy: -149.660465
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -498.679640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.679640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.277786 (E_RNA)
where:
Base-Base interactions energy: -350.983
where: short stacking energy: -147.944
Base-Backbone interact. energy: -1.170
local terms energy: -147.125259
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -41.553
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -498.064129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.064129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.250193 (E_RNA)
where:
Base-Base interactions energy: -360.860
where: short stacking energy: -141.812
Base-Backbone interact. energy: -0.585
local terms energy: -136.805940
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -26.646
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.186 (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: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -455.774632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.774632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.882873 (E_RNA)
where:
Base-Base interactions energy: -319.605
where: short stacking energy: -126.856
Base-Backbone interact. energy: 1.102
local terms energy: -137.380278
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.108 (S_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: 99
Temperature: 1.200000
Total energy: -488.942476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.942476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.105424 (E_RNA)
where:
Base-Base interactions energy: -336.954
where: short stacking energy: -135.009
Base-Backbone interact. energy: -0.608
local terms energy: -151.543808
where:
bonds (distance) C4'-P energy: -32.584
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -33.414
Dist. restrs. and SS energy: 0.163 (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: 99
Temperature: 1.250000
Total energy: -346.564613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.564613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.463997 (E_RNA)
where:
Base-Base interactions energy: -238.800
where: short stacking energy: -104.609
Base-Backbone interact. energy: -0.926
local terms energy: -120.738786
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 13.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -367.073925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.073925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.426458 (E_RNA)
where:
Base-Base interactions energy: -262.355
where: short stacking energy: -105.332
Base-Backbone interact. energy: 1.636
local terms energy: -110.707447
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -18.272
tors. eta vs tors. theta energy: -26.634
Dist. restrs. and SS energy: 4.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -358.003820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.003820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.134076 (E_RNA)
where:
Base-Base interactions energy: -246.303
where: short stacking energy: -89.102
Base-Backbone interact. energy: -1.133
local terms energy: -113.697758
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -29.575
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -528.085118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.093985 (E_RNA)
where:
Base-Base interactions energy: -379.000
where: short stacking energy: -142.430
Base-Backbone interact. energy: -0.858
local terms energy: -148.236681
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -525.380703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.380703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.756878 (E_RNA)
where:
Base-Base interactions energy: -376.050
where: short stacking energy: -155.108
Base-Backbone interact. energy: -0.519
local terms energy: -149.187778
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -40.610
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -510.580443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.580443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.091373 (E_RNA)
where:
Base-Base interactions energy: -351.647
where: short stacking energy: -144.667
Base-Backbone interact. energy: 0.080
local terms energy: -159.524609
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -34.374
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -486.012271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.012271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.227973 (E_RNA)
where:
Base-Base interactions energy: -350.123
where: short stacking energy: -139.219
Base-Backbone interact. energy: -0.430
local terms energy: -135.674683
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -33.151
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -467.784756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.784756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.954826 (E_RNA)
where:
Base-Base interactions energy: -323.733
where: short stacking energy: -136.417
Base-Backbone interact. energy: -0.606
local terms energy: -143.616088
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -29.082
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -22.174
tors. eta vs tors. theta energy: -38.045
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -483.690909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.690909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.268375 (E_RNA)
where:
Base-Base interactions energy: -334.437
where: short stacking energy: -131.917
Base-Backbone interact. energy: -0.894
local terms energy: -148.937322
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -37.167
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -456.329497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.329497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.559869 (E_RNA)
where:
Base-Base interactions energy: -335.267
where: short stacking energy: -129.487
Base-Backbone interact. energy: 1.762
local terms energy: -124.054774
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -31.385
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -358.229092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.229092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.347004 (E_RNA)
where:
Base-Base interactions energy: -244.342
where: short stacking energy: -88.434
Base-Backbone interact. energy: 6.385
local terms energy: -127.389717
where:
bonds (distance) C4'-P energy: -22.966
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -24.310
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: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -377.764240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.764240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.945921 (E_RNA)
where:
Base-Base interactions energy: -252.237
where: short stacking energy: -95.945
Base-Backbone interact. energy: -1.129
local terms energy: -127.580329
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -27.237
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: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -349.211149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.211149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.484153 (E_RNA)
where:
Base-Base interactions energy: -251.365
where: short stacking energy: -100.591
Base-Backbone interact. energy: 0.225
local terms energy: -102.344251
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -24.089
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: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -521.525836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.525836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.888667 (E_RNA)
where:
Base-Base interactions energy: -370.985
where: short stacking energy: -146.311
Base-Backbone interact. energy: -0.868
local terms energy: -150.036073
where:
bonds (distance) C4'-P energy: -28.665
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -38.519
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -520.230534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.230534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.335962 (E_RNA)
where:
Base-Base interactions energy: -375.558
where: short stacking energy: -147.087
Base-Backbone interact. energy: -0.793
local terms energy: -143.984568
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -34.923
Dist. restrs. and SS energy: 0.105 (S_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: -519.284223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.284223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.941373 (E_RNA)
where:
Base-Base interactions energy: -365.004
where: short stacking energy: -149.968
Base-Backbone interact. energy: 0.425
local terms energy: -155.361822
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -37.669
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -502.230291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.230291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.245322 (E_RNA)
where:
Base-Base interactions energy: -349.114
where: short stacking energy: -135.542
Base-Backbone interact. energy: -0.538
local terms energy: -152.593176
where:
bonds (distance) C4'-P energy: -34.511
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -36.490
Dist. restrs. and SS energy: 0.015 (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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -460.966704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.966704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.316842 (E_RNA)
where:
Base-Base interactions energy: -319.258
where: short stacking energy: -125.541
Base-Backbone interact. energy: 0.275
local terms energy: -142.334495
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -30.609
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: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -491.878547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.878547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.288103 (E_RNA)
where:
Base-Base interactions energy: -345.893
where: short stacking energy: -145.746
Base-Backbone interact. energy: -0.601
local terms energy: -145.794591
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -32.833
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -37.992
Dist. restrs. and SS energy: 0.410 (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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -468.315842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.315842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.417898 (E_RNA)
where:
Base-Base interactions energy: -327.661
where: short stacking energy: -124.858
Base-Backbone interact. energy: -0.455
local terms energy: -140.301556
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -25.671
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.102 (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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -376.889555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.889555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.187641 (E_RNA)
where:
Base-Base interactions energy: -259.244
where: short stacking energy: -99.435
Base-Backbone interact. energy: -2.811
local terms energy: -120.132743
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -20.280
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 5.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -332.821351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.821351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.357903 (E_RNA)
where:
Base-Base interactions energy: -232.772
where: short stacking energy: -83.528
Base-Backbone interact. energy: 5.541
local terms energy: -112.126508
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -30.499
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 6.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -355.800413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.800413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.506084 (E_RNA)
where:
Base-Base interactions energy: -254.042
where: short stacking energy: -113.478
Base-Backbone interact. energy: 0.982
local terms energy: -106.446393
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -531.440981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.440981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.610166 (E_RNA)
where:
Base-Base interactions energy: -376.536
where: short stacking energy: -162.125
Base-Backbone interact. energy: -1.664
local terms energy: -153.410982
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -35.920
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -41.854
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -509.863921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.863921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.123528 (E_RNA)
where:
Base-Base interactions energy: -354.284
where: short stacking energy: -142.187
Base-Backbone interact. energy: -0.377
local terms energy: -155.462408
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -32.651
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -515.190469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.190469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.725170 (E_RNA)
where:
Base-Base interactions energy: -364.713
where: short stacking energy: -147.069
Base-Backbone interact. energy: 0.857
local terms energy: -151.869245
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -40.033
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -498.492017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.492017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.620467 (E_RNA)
where:
Base-Base interactions energy: -357.154
where: short stacking energy: -143.780
Base-Backbone interact. energy: -0.546
local terms energy: -140.920627
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -36.178
Dist. restrs. and SS energy: 0.128 (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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -479.237158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.237158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.300361 (E_RNA)
where:
Base-Base interactions energy: -336.982
where: short stacking energy: -135.801
Base-Backbone interact. energy: -0.161
local terms energy: -142.156947
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.063 (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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -445.672526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.672526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.097363 (E_RNA)
where:
Base-Base interactions energy: -319.064
where: short stacking energy: -123.088
Base-Backbone interact. energy: -1.186
local terms energy: -125.847162
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -31.941
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -461.031349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.031349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.480077 (E_RNA)
where:
Base-Base interactions energy: -323.441
where: short stacking energy: -126.495
Base-Backbone interact. energy: -0.421
local terms energy: -137.618372
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -392.844676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.844676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.053221 (E_RNA)
where:
Base-Base interactions energy: -272.649
where: short stacking energy: -106.523
Base-Backbone interact. energy: -1.204
local terms energy: -122.200005
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -24.612
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -28.075
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -353.200643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.318101 (E_RNA)
where:
Base-Base interactions energy: -241.354
where: short stacking energy: -102.942
Base-Backbone interact. energy: 0.414
local terms energy: -116.377661
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -20.303
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: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -330.087805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.087805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.989408 (E_RNA)
where:
Base-Base interactions energy: -238.721
where: short stacking energy: -86.278
Base-Backbone interact. energy: -1.106
local terms energy: -107.162350
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 16.902 (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: 103
Temperature: 0.900000
Total energy: -530.043233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.072650 (E_RNA)
where:
Base-Base interactions energy: -373.030
where: short stacking energy: -150.436
Base-Backbone interact. energy: -0.845
local terms energy: -156.197769
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -36.962
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -41.098
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -530.981159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.981159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.023942 (E_RNA)
where:
Base-Base interactions energy: -366.372
where: short stacking energy: -154.072
Base-Backbone interact. energy: -0.431
local terms energy: -164.220986
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -29.463
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -41.897
Dist. restrs. and SS energy: 0.043 (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: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -523.682277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.682277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.871543 (E_RNA)
where:
Base-Base interactions energy: -374.996
where: short stacking energy: -151.969
Base-Backbone interact. energy: -0.817
local terms energy: -148.058228
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -36.336
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -506.992996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.992996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.154401 (E_RNA)
where:
Base-Base interactions energy: -375.621
where: short stacking energy: -141.197
Base-Backbone interact. energy: -0.427
local terms energy: -131.105929
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -497.224927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.224927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.657291 (E_RNA)
where:
Base-Base interactions energy: -352.346
where: short stacking energy: -143.469
Base-Backbone interact. energy: -0.596
local terms energy: -144.714972
where:
bonds (distance) C4'-P energy: -22.991
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -450.204402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.204402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.593050 (E_RNA)
where:
Base-Base interactions energy: -320.030
where: short stacking energy: -139.247
Base-Backbone interact. energy: -0.400
local terms energy: -130.163709
where:
bonds (distance) C4'-P energy: -21.923
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -32.112
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -471.815923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.815923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.156086 (E_RNA)
where:
Base-Base interactions energy: -340.478
where: short stacking energy: -135.229
Base-Backbone interact. energy: -0.497
local terms energy: -131.181918
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -19.284
tors. eta vs tors. theta energy: -37.703
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -370.128365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.128365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.909942 (E_RNA)
where:
Base-Base interactions energy: -266.275
where: short stacking energy: -101.376
Base-Backbone interact. energy: -0.920
local terms energy: -108.714793
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -21.609
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -380.802943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.802943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.616180 (E_RNA)
where:
Base-Base interactions energy: -267.717
where: short stacking energy: -108.662
Base-Backbone interact. energy: -1.034
local terms energy: -118.865099
where:
bonds (distance) C4'-P energy: -21.363
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -26.105
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: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -321.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.620946 (E_RNA)
where:
Base-Base interactions energy: -231.502
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.106
local terms energy: -94.012235
where:
bonds (distance) C4'-P energy: -22.422
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -12.405
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: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -533.922917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.922917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.010229 (E_RNA)
where:
Base-Base interactions energy: -366.368
where: short stacking energy: -154.425
Base-Backbone interact. energy: -0.424
local terms energy: -167.218994
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -34.975
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -40.321
Dist. restrs. and SS energy: 0.087 (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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -523.062765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.062765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.338996 (E_RNA)
where:
Base-Base interactions energy: -372.138
where: short stacking energy: -153.042
Base-Backbone interact. energy: -1.231
local terms energy: -149.970328
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -42.134
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -513.078586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.078586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.116350 (E_RNA)
where:
Base-Base interactions energy: -361.242
where: short stacking energy: -150.516
Base-Backbone interact. energy: -0.349
local terms energy: -151.526050
where:
bonds (distance) C4'-P energy: -25.706
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.038 (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: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -512.540857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.540857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.931494 (E_RNA)
where:
Base-Base interactions energy: -370.238
where: short stacking energy: -155.771
Base-Backbone interact. energy: -0.614
local terms energy: -142.079682
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -41.973
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -487.795522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.795522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.918719 (E_RNA)
where:
Base-Base interactions energy: -346.808
where: short stacking energy: -142.853
Base-Backbone interact. energy: -0.154
local terms energy: -140.956466
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -38.405
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -468.921264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.921264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.234179 (E_RNA)
where:
Base-Base interactions energy: -327.639
where: short stacking energy: -132.312
Base-Backbone interact. energy: 0.315
local terms energy: -141.910568
where:
bonds (distance) C4'-P energy: -25.587
bonds (distance) P-C4' energy: -29.436
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -401.472590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.472590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.331408 (E_RNA)
where:
Base-Base interactions energy: -270.374
where: short stacking energy: -116.591
Base-Backbone interact. energy: -1.412
local terms energy: -131.544784
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -452.900840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.900840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.094224 (E_RNA)
where:
Base-Base interactions energy: -314.453
where: short stacking energy: -116.386
Base-Backbone interact. energy: -0.692
local terms energy: -137.949243
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -31.731
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -375.195889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.195889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.231441 (E_RNA)
where:
Base-Base interactions energy: -264.677
where: short stacking energy: -105.259
Base-Backbone interact. energy: -0.653
local terms energy: -112.900564
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -23.973
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: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -332.364343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.364343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.760832 (E_RNA)
where:
Base-Base interactions energy: -238.239
where: short stacking energy: -97.433
Base-Backbone interact. energy: 4.627
local terms energy: -110.149365
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 11.396 (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: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -529.323894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.323894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.327314 (E_RNA)
where:
Base-Base interactions energy: -385.100
where: short stacking energy: -146.590
Base-Backbone interact. energy: -0.115
local terms energy: -144.112304
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -31.598
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -33.781
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -523.566641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.566641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.637384 (E_RNA)
where:
Base-Base interactions energy: -369.678
where: short stacking energy: -155.015
Base-Backbone interact. energy: -0.440
local terms energy: -153.519582
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -32.629
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -42.103
Dist. restrs. and SS energy: 0.071 (S_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: -516.056518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.056518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.443687 (E_RNA)
where:
Base-Base interactions energy: -368.496
where: short stacking energy: -143.793
Base-Backbone interact. energy: -0.461
local terms energy: -147.487193
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -36.055
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -506.746427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.746427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.862609 (E_RNA)
where:
Base-Base interactions energy: -366.394
where: short stacking energy: -147.813
Base-Backbone interact. energy: -1.538
local terms energy: -138.930716
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -25.063
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.116 (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: 105
Temperature: 1.100000
Total energy: -490.330687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.330687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.400845 (E_RNA)
where:
Base-Base interactions energy: -349.408
where: short stacking energy: -138.893
Base-Backbone interact. energy: 0.068
local terms energy: -141.060778
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -32.840
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -456.010927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.010927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.616639 (E_RNA)
where:
Base-Base interactions energy: -328.589
where: short stacking energy: -137.429
Base-Backbone interact. energy: 0.976
local terms energy: -129.003607
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -29.665
Dist. restrs. and SS energy: 0.606 (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: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -406.885386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.885386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.044326 (E_RNA)
where:
Base-Base interactions energy: -288.065
where: short stacking energy: -110.393
Base-Backbone interact. energy: 0.613
local terms energy: -121.592804
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -400.151179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.151179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.350783 (E_RNA)
where:
Base-Base interactions energy: -283.797
where: short stacking energy: -112.932
Base-Backbone interact. energy: -0.279
local terms energy: -118.273956
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 2.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -452.194708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.194708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.633391 (E_RNA)
where:
Base-Base interactions energy: -320.438
where: short stacking energy: -130.451
Base-Backbone interact. energy: -0.636
local terms energy: -131.559498
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -31.313
Dist. restrs. and SS energy: 0.439 (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: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -306.373604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.373604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.746301 (E_RNA)
where:
Base-Base interactions energy: -205.466
where: short stacking energy: -83.296
Base-Backbone interact. energy: 1.362
local terms energy: -108.642100
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -32.552
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 6.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -524.524526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.524526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.708621 (E_RNA)
where:
Base-Base interactions energy: -364.843
where: short stacking energy: -142.541
Base-Backbone interact. energy: -0.559
local terms energy: -159.306975
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -39.060
Dist. restrs. and SS energy: 0.184 (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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -527.843528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.843528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.891543 (E_RNA)
where:
Base-Base interactions energy: -374.702
where: short stacking energy: -143.166
Base-Backbone interact. energy: -0.656
local terms energy: -152.533396
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -36.399
Dist. restrs. and SS energy: 0.048 (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: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -506.321372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.321372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.574726 (E_RNA)
where:
Base-Base interactions energy: -360.438
where: short stacking energy: -144.408
Base-Backbone interact. energy: -0.703
local terms energy: -145.434591
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -40.865
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -507.389589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.389589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.499380 (E_RNA)
where:
Base-Base interactions energy: -365.351
where: short stacking energy: -155.450
Base-Backbone interact. energy: -0.456
local terms energy: -141.692504
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -29.188
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -40.813
Dist. restrs. and SS energy: 0.110 (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: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -483.706816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.706816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.321536 (E_RNA)
where:
Base-Base interactions energy: -353.823
where: short stacking energy: -136.888
Base-Backbone interact. energy: -0.856
local terms energy: -129.642645
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -462.473232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.473232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.933216 (E_RNA)
where:
Base-Base interactions energy: -333.956
where: short stacking energy: -134.936
Base-Backbone interact. energy: -0.684
local terms energy: -128.292636
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -33.847
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -393.278666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.278666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.225994 (E_RNA)
where:
Base-Base interactions energy: -273.928
where: short stacking energy: -121.307
Base-Backbone interact. energy: 0.458
local terms energy: -123.755957
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -27.180
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -29.889
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: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -376.832308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.832308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.467973 (E_RNA)
where:
Base-Base interactions energy: -250.460
where: short stacking energy: -95.926
Base-Backbone interact. energy: 0.061
local terms energy: -130.069346
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -24.839
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -449.586516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.586516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.692313 (E_RNA)
where:
Base-Base interactions energy: -327.212
where: short stacking energy: -124.472
Base-Backbone interact. energy: -2.308
local terms energy: -120.172392
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.106 (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: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -313.647740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.647740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.556199 (E_RNA)
where:
Base-Base interactions energy: -208.307
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.165
local terms energy: -113.084601
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 7.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -521.165117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.165117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.380445 (E_RNA)
where:
Base-Base interactions energy: -372.631
where: short stacking energy: -147.637
Base-Backbone interact. energy: -0.423
local terms energy: -148.327092
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -34.045
Dist. restrs. and SS energy: 0.215 (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: 107
Temperature: 0.950000
Total energy: -513.549346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.549346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.812098 (E_RNA)
where:
Base-Base interactions energy: -364.229
where: short stacking energy: -152.506
Base-Backbone interact. energy: -0.338
local terms energy: -149.245277
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -40.984
Dist. restrs. and SS energy: 0.263 (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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -507.867168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.867168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.013521 (E_RNA)
where:
Base-Base interactions energy: -358.073
where: short stacking energy: -145.139
Base-Backbone interact. energy: -0.581
local terms energy: -149.360433
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -29.879
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -485.364609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.364609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.528459 (E_RNA)
where:
Base-Base interactions energy: -347.889
where: short stacking energy: -130.665
Base-Backbone interact. energy: -0.490
local terms energy: -137.148865
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.164 (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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -493.677602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.677602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.688590 (E_RNA)
where:
Base-Base interactions energy: -341.967
where: short stacking energy: -146.004
Base-Backbone interact. energy: -1.171
local terms energy: -150.550444
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -41.175
Dist. restrs. and SS energy: 0.011 (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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -462.855639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.855639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.114385 (E_RNA)
where:
Base-Base interactions energy: -325.117
where: short stacking energy: -132.973
Base-Backbone interact. energy: -0.258
local terms energy: -137.739592
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -37.655
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -399.545065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.545065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.537157 (E_RNA)
where:
Base-Base interactions energy: -278.078
where: short stacking energy: -121.127
Base-Backbone interact. energy: 0.034
local terms energy: -126.493125
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -25.066
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -36.736
Dist. restrs. and SS energy: 4.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -467.908274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.908274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.269502 (E_RNA)
where:
Base-Base interactions energy: -337.553
where: short stacking energy: -133.351
Base-Backbone interact. energy: -0.771
local terms energy: -129.945255
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -378.190973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.190973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.173436 (E_RNA)
where:
Base-Base interactions energy: -262.494
where: short stacking energy: -110.954
Base-Backbone interact. energy: 1.034
local terms energy: -120.713647
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 3.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -313.482087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.482087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.948713 (E_RNA)
where:
Base-Base interactions energy: -207.856
where: short stacking energy: -80.925
Base-Backbone interact. energy: 0.018
local terms energy: -112.110400
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -16.098
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: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -531.438099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.438099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.685857 (E_RNA)
where:
Base-Base interactions energy: -381.714
where: short stacking energy: -158.665
Base-Backbone interact. energy: -0.633
local terms energy: -149.338526
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -43.020
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: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -517.503743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.503743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.632654 (E_RNA)
where:
Base-Base interactions energy: -366.543
where: short stacking energy: -144.035
Base-Backbone interact. energy: -0.193
local terms energy: -150.897179
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -43.927
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -518.351037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.351037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.433395 (E_RNA)
where:
Base-Base interactions energy: -359.300
where: short stacking energy: -142.287
Base-Backbone interact. energy: -0.566
local terms energy: -158.567416
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -27.975
tors. eta vs tors. theta energy: -42.086
Dist. restrs. and SS energy: 0.082 (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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -501.669335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.669335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.850409 (E_RNA)
where:
Base-Base interactions energy: -358.496
where: short stacking energy: -142.910
Base-Backbone interact. energy: -0.439
local terms energy: -142.915851
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -36.841
Dist. restrs. and SS energy: 0.181 (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: 108
Temperature: 1.100000
Total energy: -489.455331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.455331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.086160 (E_RNA)
where:
Base-Base interactions energy: -352.218
where: short stacking energy: -130.444
Base-Backbone interact. energy: 1.427
local terms energy: -139.294472
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -28.581
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -452.582199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.582199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.332306 (E_RNA)
where:
Base-Base interactions energy: -315.400
where: short stacking energy: -123.056
Base-Backbone interact. energy: -0.344
local terms energy: -137.587598
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -29.640
Dist. restrs. and SS energy: 0.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -470.315740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.315740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.295064 (E_RNA)
where:
Base-Base interactions energy: -331.549
where: short stacking energy: -134.299
Base-Backbone interact. energy: -0.335
local terms energy: -139.411560
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -29.127
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -33.062
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -379.924216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.924216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.355663 (E_RNA)
where:
Base-Base interactions energy: -268.521
where: short stacking energy: -99.627
Base-Backbone interact. energy: 1.772
local terms energy: -115.607104
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 2.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -395.667374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.667374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.338012 (E_RNA)
where:
Base-Base interactions energy: -286.781
where: short stacking energy: -119.032
Base-Backbone interact. energy: -0.975
local terms energy: -112.582508
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -26.455
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -26.308
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: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -383.491497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.491497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.718990 (E_RNA)
where:
Base-Base interactions energy: -275.409
where: short stacking energy: -113.715
Base-Backbone interact. energy: 0.282
local terms energy: -110.592417
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -23.709
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -527.603150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.603150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.736007 (E_RNA)
where:
Base-Base interactions energy: -369.632
where: short stacking energy: -150.476
Base-Backbone interact. energy: -0.508
local terms energy: -157.595711
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -29.043
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.133 (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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -532.101941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.101941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.234654 (E_RNA)
where:
Base-Base interactions energy: -373.612
where: short stacking energy: -151.537
Base-Backbone interact. energy: 1.762
local terms energy: -160.384120
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -38.291
Dist. restrs. and SS energy: 0.133 (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: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -521.206287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.299900 (E_RNA)
where:
Base-Base interactions energy: -363.981
where: short stacking energy: -153.591
Base-Backbone interact. energy: -0.289
local terms energy: -157.029254
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -40.117
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -519.728241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.728241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.263854 (E_RNA)
where:
Base-Base interactions energy: -366.659
where: short stacking energy: -154.713
Base-Backbone interact. energy: -0.231
local terms energy: -153.373053
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -40.313
Dist. restrs. and SS energy: 0.536 (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: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -482.693538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.693538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.724401 (E_RNA)
where:
Base-Base interactions energy: -343.170
where: short stacking energy: -130.505
Base-Backbone interact. energy: 1.466
local terms energy: -141.020934
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -473.937753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.937753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.320387 (E_RNA)
where:
Base-Base interactions energy: -333.013
where: short stacking energy: -129.019
Base-Backbone interact. energy: -2.052
local terms energy: -139.255512
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -26.665
flat angles C4'-P-C4' energy: -25.947
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -37.501
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -449.209032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.209032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.864836 (E_RNA)
where:
Base-Base interactions energy: -322.453
where: short stacking energy: -128.007
Base-Backbone interact. energy: -1.465
local terms energy: -125.946563
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -33.269
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -415.873299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.873299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.079902 (E_RNA)
where:
Base-Base interactions energy: -303.329
where: short stacking energy: -114.699
Base-Backbone interact. energy: -0.325
local terms energy: -112.426409
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -26.620
Dist. restrs. and SS energy: 0.207 (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: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -389.821371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.821371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.791584 (E_RNA)
where:
Base-Base interactions energy: -271.086
where: short stacking energy: -103.135
Base-Backbone interact. energy: -0.414
local terms energy: -123.291728
where:
bonds (distance) C4'-P energy: -33.494
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 4.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -376.340226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.340226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.362345 (E_RNA)
where:
Base-Base interactions energy: -263.205
where: short stacking energy: -119.957
Base-Backbone interact. energy: -0.273
local terms energy: -115.883665
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: -22.949
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: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -533.918473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.918473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.017210 (E_RNA)
where:
Base-Base interactions energy: -374.329
where: short stacking energy: -154.181
Base-Backbone interact. energy: -0.455
local terms energy: -159.232923
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -33.824
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -23.404
tors. eta vs tors. theta energy: -41.171
Dist. restrs. and SS energy: 0.099 (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: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -529.330907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.330907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.384230 (E_RNA)
where:
Base-Base interactions energy: -371.621
where: short stacking energy: -150.022
Base-Backbone interact. energy: -1.824
local terms energy: -155.939310
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -41.875
Dist. restrs. and SS energy: 0.053 (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: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -518.639163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.639163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.815461 (E_RNA)
where:
Base-Base interactions energy: -372.643
where: short stacking energy: -152.543
Base-Backbone interact. energy: 2.287
local terms energy: -148.459250
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -41.343
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -490.341446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.341446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.644674 (E_RNA)
where:
Base-Base interactions energy: -350.316
where: short stacking energy: -134.448
Base-Backbone interact. energy: -0.795
local terms energy: -139.533682
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -36.366
Dist. restrs. and SS energy: 0.303 (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: 110
Temperature: 1.100000
Total energy: -491.338560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.338560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.446135 (E_RNA)
where:
Base-Base interactions energy: -353.842
where: short stacking energy: -143.884
Base-Backbone interact. energy: -0.996
local terms energy: -136.608273
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -31.480
Dist. restrs. and SS energy: 0.108 (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: 110
Temperature: 1.150000
Total energy: -479.923027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.923027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.099426 (E_RNA)
where:
Base-Base interactions energy: -340.991
where: short stacking energy: -135.697
Base-Backbone interact. energy: -0.715
local terms energy: -138.393049
where:
bonds (distance) C4'-P energy: -24.213
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -36.006
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -448.107937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.107937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.209820 (E_RNA)
where:
Base-Base interactions energy: -320.499
where: short stacking energy: -125.033
Base-Backbone interact. energy: -0.748
local terms energy: -126.962788
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -30.639
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -32.938
Dist. restrs. and SS energy: 0.102 (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: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -422.866692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.866692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.528310 (E_RNA)
where:
Base-Base interactions energy: -302.309
where: short stacking energy: -116.609
Base-Backbone interact. energy: -0.211
local terms energy: -124.007673
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -21.283
tors. eta vs tors. theta energy: -26.197
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: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -387.227712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.227712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.019250 (E_RNA)
where:
Base-Base interactions energy: -279.797
where: short stacking energy: -103.901
Base-Backbone interact. energy: 0.081
local terms energy: -112.303253
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -26.491
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -23.579
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: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -378.574293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.574293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.314741 (E_RNA)
where:
Base-Base interactions energy: -265.477
where: short stacking energy: -133.046
Base-Backbone interact. energy: 1.121
local terms energy: -116.958443
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -35.144
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -529.675291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.675291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.837829 (E_RNA)
where:
Base-Base interactions energy: -378.319
where: short stacking energy: -150.168
Base-Backbone interact. energy: 3.011
local terms energy: -154.530122
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -30.445
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -40.164
Dist. restrs. and SS energy: 0.163 (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: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -527.216726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.216726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.422095 (E_RNA)
where:
Base-Base interactions energy: -369.557
where: short stacking energy: -155.832
Base-Backbone interact. energy: -0.327
local terms energy: -157.538009
where:
bonds (distance) C4'-P energy: -27.816
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -518.386688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.386688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.450599 (E_RNA)
where:
Base-Base interactions energy: -366.215
where: short stacking energy: -146.415
Base-Backbone interact. energy: -0.688
local terms energy: -151.547573
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -31.205
flat angles C4'-P-C4' energy: -33.626
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -41.274
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -496.718114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.718114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.561756 (E_RNA)
where:
Base-Base interactions energy: -346.397
where: short stacking energy: -135.506
Base-Backbone interact. energy: -0.602
local terms energy: -150.562898
where:
bonds (distance) C4'-P energy: -26.508
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -34.162
Dist. restrs. and SS energy: 0.844 (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: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -479.773831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.773831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.173272 (E_RNA)
where:
Base-Base interactions energy: -342.571
where: short stacking energy: -126.408
Base-Backbone interact. energy: -0.510
local terms energy: -137.091954
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -35.097
Dist. restrs. and SS energy: 0.399 (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: 111
Temperature: 1.150000
Total energy: -456.218759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.218759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.273363 (E_RNA)
where:
Base-Base interactions energy: -322.215
where: short stacking energy: -123.710
Base-Backbone interact. energy: -0.195
local terms energy: -133.863841
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -29.748
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. 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: -463.649134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.649134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.053419 (E_RNA)
where:
Base-Base interactions energy: -322.411
where: short stacking energy: -123.257
Base-Backbone interact. energy: -0.480
local terms energy: -141.162121
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -31.323
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -24.494
tors. eta vs tors. theta energy: -32.265
Dist. restrs. and SS energy: 0.404 (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: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -422.410159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.410159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.891835 (E_RNA)
where:
Base-Base interactions energy: -305.832
where: short stacking energy: -123.325
Base-Backbone interact. energy: 0.355
local terms energy: -117.414932
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.482 (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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -380.969741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.969741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.980414 (E_RNA)
where:
Base-Base interactions energy: -289.974
where: short stacking energy: -114.813
Base-Backbone interact. energy: 6.375
local terms energy: -103.381681
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -24.767
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: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -342.529030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.529030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.185122 (E_RNA)
where:
Base-Base interactions energy: -249.168
where: short stacking energy: -99.105
Base-Backbone interact. energy: -1.751
local terms energy: -106.265963
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -26.315
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 14.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -533.693575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.693575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.746585 (E_RNA)
where:
Base-Base interactions energy: -378.817
where: short stacking energy: -162.674
Base-Backbone interact. energy: -0.436
local terms energy: -154.493790
where:
bonds (distance) C4'-P energy: -33.888
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -44.280
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -535.038060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.038060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.154004 (E_RNA)
where:
Base-Base interactions energy: -386.930
where: short stacking energy: -162.887
Base-Backbone interact. energy: 1.449
local terms energy: -149.673012
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -38.997
Dist. restrs. and SS energy: 0.116 (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: 112
Temperature: 1.000000
Total energy: -507.518452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.518452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.620025 (E_RNA)
where:
Base-Base interactions energy: -350.148
where: short stacking energy: -153.434
Base-Backbone interact. energy: 0.504
local terms energy: -157.975438
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -41.835
Dist. restrs. and SS energy: 0.102 (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: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -504.413852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.413852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.496579 (E_RNA)
where:
Base-Base interactions energy: -356.201
where: short stacking energy: -148.324
Base-Backbone interact. energy: -0.332
local terms energy: -147.963670
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -32.566
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -37.902
Dist. restrs. and SS energy: 0.083 (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: 112
Temperature: 1.100000
Total energy: -469.796553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.796553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.963202 (E_RNA)
where:
Base-Base interactions energy: -319.652
where: short stacking energy: -133.294
Base-Backbone interact. energy: -0.414
local terms energy: -149.897602
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -33.589
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -479.287040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.287040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.309086 (E_RNA)
where:
Base-Base interactions energy: -336.847
where: short stacking energy: -128.811
Base-Backbone interact. energy: 2.217
local terms energy: -144.678540
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -37.547
Dist. restrs. and SS energy: 0.022 (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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -441.670586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.670586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.070721 (E_RNA)
where:
Base-Base interactions energy: -306.463
where: short stacking energy: -117.521
Base-Backbone interact. energy: -0.060
local terms energy: -135.547562
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -32.620
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -30.804
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -460.158127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.158127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.360287 (E_RNA)
where:
Base-Base interactions energy: -331.830
where: short stacking energy: -126.602
Base-Backbone interact. energy: 0.001
local terms energy: -128.531373
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -31.490
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -380.937810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.937810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.435727 (E_RNA)
where:
Base-Base interactions energy: -265.609
where: short stacking energy: -107.575
Base-Backbone interact. energy: -0.514
local terms energy: -116.312441
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 1.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -369.724917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.724917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.478606 (E_RNA)
where:
Base-Base interactions energy: -255.883
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.378
local terms energy: -120.218166
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 6.754 (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: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -533.910396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.910396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.204942 (E_RNA)
where:
Base-Base interactions energy: -381.438
where: short stacking energy: -141.861
Base-Backbone interact. energy: -0.518
local terms energy: -152.249068
where:
bonds (distance) C4'-P energy: -32.304
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -37.827
Dist. restrs. and SS energy: 0.295 (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: 113
Temperature: 0.950000
Total energy: -532.655248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.655248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.712606 (E_RNA)
where:
Base-Base interactions energy: -376.485
where: short stacking energy: -153.742
Base-Backbone interact. energy: -1.258
local terms energy: -154.969974
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -30.038
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -42.733
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -529.267486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.267486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.342364 (E_RNA)
where:
Base-Base interactions energy: -378.867
where: short stacking energy: -153.397
Base-Backbone interact. energy: -0.566
local terms energy: -149.909387
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -22.279
tors. eta vs tors. theta energy: -38.716
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -514.203184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.203184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.244850 (E_RNA)
where:
Base-Base interactions energy: -367.093
where: short stacking energy: -153.616
Base-Backbone interact. energy: -0.477
local terms energy: -146.675419
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -42.015
Dist. restrs. and SS energy: 0.042 (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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -465.732381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.732381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.129940 (E_RNA)
where:
Base-Base interactions energy: -322.634
where: short stacking energy: -125.033
Base-Backbone interact. energy: -3.461
local terms energy: -140.034698
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -31.961
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -489.317566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.317566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.401092 (E_RNA)
where:
Base-Base interactions energy: -347.199
where: short stacking energy: -142.101
Base-Backbone interact. energy: 1.158
local terms energy: -143.359342
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -37.167
Dist. restrs. and SS energy: 0.084 (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: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -443.585650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.585650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.868442 (E_RNA)
where:
Base-Base interactions energy: -310.285
where: short stacking energy: -119.430
Base-Backbone interact. energy: -0.634
local terms energy: -132.949276
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -30.725
Dist. restrs. and SS energy: 0.283 (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: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -443.318433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.318433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.526376 (E_RNA)
where:
Base-Base interactions energy: -323.076
where: short stacking energy: -115.835
Base-Backbone interact. energy: -0.930
local terms energy: -120.520957
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 1.208 (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: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -416.971166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.971166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.326090 (E_RNA)
where:
Base-Base interactions energy: -290.480
where: short stacking energy: -123.915
Base-Backbone interact. energy: 1.320
local terms energy: -130.166541
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -28.306
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: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -423.422452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.422452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.638525 (E_RNA)
where:
Base-Base interactions energy: -314.499
where: short stacking energy: -115.878
Base-Backbone interact. energy: -1.244
local terms energy: -107.895529
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -528.744959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.744959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.828884 (E_RNA)
where:
Base-Base interactions energy: -376.340
where: short stacking energy: -157.700
Base-Backbone interact. energy: -1.270
local terms energy: -151.218807
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -41.104
Dist. restrs. and SS energy: 0.084 (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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -521.891522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.891522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.965266 (E_RNA)
where:
Base-Base interactions energy: -372.141
where: short stacking energy: -153.417
Base-Backbone interact. energy: -0.410
local terms energy: -149.413960
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -520.381068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.381068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.735727 (E_RNA)
where:
Base-Base interactions energy: -369.553
where: short stacking energy: -150.659
Base-Backbone interact. energy: -0.481
local terms energy: -150.701128
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -37.088
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -496.279105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.279105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.043035 (E_RNA)
where:
Base-Base interactions energy: -350.187
where: short stacking energy: -147.065
Base-Backbone interact. energy: 1.071
local terms energy: -147.927049
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -32.310
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.764 (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: 114
Temperature: 1.100000
Total energy: -470.321742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.321742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.771250 (E_RNA)
where:
Base-Base interactions energy: -332.598
where: short stacking energy: -134.894
Base-Backbone interact. energy: -0.366
local terms energy: -137.807334
where:
bonds (distance) C4'-P energy: -24.809
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -479.544270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.544270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.756809 (E_RNA)
where:
Base-Base interactions energy: -339.976
where: short stacking energy: -125.531
Base-Backbone interact. energy: -0.895
local terms energy: -138.885834
where:
bonds (distance) C4'-P energy: -29.098
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -34.895
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -461.777873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.777873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.074680 (E_RNA)
where:
Base-Base interactions energy: -329.056
where: short stacking energy: -135.161
Base-Backbone interact. energy: 0.252
local terms energy: -133.271329
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -26.412
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -23.502
tors. eta vs tors. theta energy: -29.296
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -454.645648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.645648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.797513 (E_RNA)
where:
Base-Base interactions energy: -329.686
where: short stacking energy: -128.462
Base-Backbone interact. energy: -0.313
local terms energy: -124.799120
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -22.581
tors. eta vs tors. theta energy: -32.995
Dist. restrs. and SS energy: 0.152 (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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -438.277626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.277626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.971573 (E_RNA)
where:
Base-Base interactions energy: -311.681
where: short stacking energy: -118.230
Base-Backbone interact. energy: -1.753
local terms energy: -125.537692
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -33.679
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: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -401.939886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.939886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.086519 (E_RNA)
where:
Base-Base interactions energy: -283.560
where: short stacking energy: -111.717
Base-Backbone interact. energy: -0.803
local terms energy: -119.723939
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -30.337
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -525.578804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.578804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.765288 (E_RNA)
where:
Base-Base interactions energy: -376.181
where: short stacking energy: -149.924
Base-Backbone interact. energy: -0.457
local terms energy: -149.126826
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -24.935
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -39.827
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -518.819032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.819032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.939122 (E_RNA)
where:
Base-Base interactions energy: -364.450
where: short stacking energy: -145.374
Base-Backbone interact. energy: -0.424
local terms energy: -154.065578
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -34.441
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.120 (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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -514.925076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.925076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.186265 (E_RNA)
where:
Base-Base interactions energy: -373.518
where: short stacking energy: -145.680
Base-Backbone interact. energy: -0.418
local terms energy: -141.249643
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -466.339635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.339635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.628521 (E_RNA)
where:
Base-Base interactions energy: -340.048
where: short stacking energy: -128.056
Base-Backbone interact. energy: -0.332
local terms energy: -126.248453
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.289 (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: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -469.333486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.333486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.597090 (E_RNA)
where:
Base-Base interactions energy: -340.083
where: short stacking energy: -133.428
Base-Backbone interact. energy: -0.168
local terms energy: -129.346212
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: -33.029
Dist. restrs. and SS energy: 0.264 (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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -477.360506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.360506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.152625 (E_RNA)
where:
Base-Base interactions energy: -338.964
where: short stacking energy: -136.065
Base-Backbone interact. energy: 0.056
local terms energy: -139.245432
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -30.501
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -39.078
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -478.240652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.240652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.413884 (E_RNA)
where:
Base-Base interactions energy: -340.326
where: short stacking energy: -132.831
Base-Backbone interact. energy: -0.199
local terms energy: -137.889736
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -37.413
Dist. restrs. and SS energy: 0.173 (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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -442.111916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.111916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.517812 (E_RNA)
where:
Base-Base interactions energy: -309.549
where: short stacking energy: -107.787
Base-Backbone interact. energy: -1.229
local terms energy: -131.739530
where:
bonds (distance) C4'-P energy: -28.499
bonds (distance) P-C4' energy: -31.974
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -25.277
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -446.928761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.928761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.346089 (E_RNA)
where:
Base-Base interactions energy: -313.857
where: short stacking energy: -118.922
Base-Backbone interact. energy: -0.892
local terms energy: -132.597105
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -28.190
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -31.632
Dist. restrs. and SS energy: 0.417 (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: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -405.167119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.167119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.220555 (E_RNA)
where:
Base-Base interactions energy: -287.197
where: short stacking energy: -111.660
Base-Backbone interact. energy: -0.460
local terms energy: -117.563315
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -25.138
Dist. restrs. and SS energy: 0.053 (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: 116
Temperature: 0.900000
Total energy: -527.310180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.310180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.578133 (E_RNA)
where:
Base-Base interactions energy: -366.122
where: short stacking energy: -149.030
Base-Backbone interact. energy: -0.390
local terms energy: -161.066383
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -43.820
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -528.237177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.237177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.457155 (E_RNA)
where:
Base-Base interactions energy: -372.163
where: short stacking energy: -161.281
Base-Backbone interact. energy: -0.413
local terms energy: -155.881187
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -41.488
Dist. restrs. and SS energy: 0.220 (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: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -500.091292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.091292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.276030 (E_RNA)
where:
Base-Base interactions energy: -355.244
where: short stacking energy: -134.849
Base-Backbone interact. energy: -0.986
local terms energy: -144.045435
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -24.872
tors. eta vs tors. theta energy: -37.398
Dist. restrs. and SS energy: 0.185 (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: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -503.996763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.318840 (E_RNA)
where:
Base-Base interactions energy: -363.336
where: short stacking energy: -139.204
Base-Backbone interact. energy: 0.544
local terms energy: -141.527388
where:
bonds (distance) C4'-P energy: -27.536
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -34.839
Dist. restrs. and SS energy: 0.322 (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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -495.519729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.519729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.787504 (E_RNA)
where:
Base-Base interactions energy: -353.707
where: short stacking energy: -138.157
Base-Backbone interact. energy: -0.631
local terms energy: -141.449853
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -25.620
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -33.793
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -459.760384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.760384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.065434 (E_RNA)
where:
Base-Base interactions energy: -315.769
where: short stacking energy: -135.947
Base-Backbone interact. energy: -0.512
local terms energy: -143.784413
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -33.738
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -472.298062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.776142 (E_RNA)
where:
Base-Base interactions energy: -332.632
where: short stacking energy: -141.006
Base-Backbone interact. energy: -0.413
local terms energy: -140.730933
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -443.580893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.580893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.975746 (E_RNA)
where:
Base-Base interactions energy: -317.300
where: short stacking energy: -128.384
Base-Backbone interact. energy: 0.774
local terms energy: -127.450234
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -32.644
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: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -440.240907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.240907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.058498 (E_RNA)
where:
Base-Base interactions energy: -316.029
where: short stacking energy: -113.842
Base-Backbone interact. energy: 2.697
local terms energy: -127.725719
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -410.908235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.442985 (E_RNA)
where:
Base-Base interactions energy: -292.048
where: short stacking energy: -110.123
Base-Backbone interact. energy: 0.175
local terms energy: -119.569204
where:
bonds (distance) C4'-P energy: -25.760
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.535 (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: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -531.626568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.626568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.798235 (E_RNA)
where:
Base-Base interactions energy: -369.470
where: short stacking energy: -158.940
Base-Backbone interact. energy: 0.795
local terms energy: -163.123208
where:
bonds (distance) C4'-P energy: -34.399
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -34.971
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -39.420
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -539.042281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.042281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.141494 (E_RNA)
where:
Base-Base interactions energy: -379.139
where: short stacking energy: -162.398
Base-Backbone interact. energy: -0.589
local terms energy: -159.413092
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.099 (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: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -524.911991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.911991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.479447 (E_RNA)
where:
Base-Base interactions energy: -364.798
where: short stacking energy: -154.624
Base-Backbone interact. energy: -0.640
local terms energy: -160.041112
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -44.425
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -489.615933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.615933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.736796 (E_RNA)
where:
Base-Base interactions energy: -347.488
where: short stacking energy: -137.536
Base-Backbone interact. energy: 0.052
local terms energy: -142.300677
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -505.714746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.714746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.101006 (E_RNA)
where:
Base-Base interactions energy: -361.648
where: short stacking energy: -139.807
Base-Backbone interact. energy: -0.370
local terms energy: -144.083697
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -27.294
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -37.779
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -449.570255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.570255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.877037 (E_RNA)
where:
Base-Base interactions energy: -310.051
where: short stacking energy: -125.822
Base-Backbone interact. energy: -0.248
local terms energy: -141.577136
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -28.999
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: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -473.431841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.431841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.585404 (E_RNA)
where:
Base-Base interactions energy: -338.807
where: short stacking energy: -138.330
Base-Backbone interact. energy: -1.505
local terms energy: -133.273616
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -26.458
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -32.927
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -446.967553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.967553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.049255 (E_RNA)
where:
Base-Base interactions energy: -317.974
where: short stacking energy: -120.137
Base-Backbone interact. energy: 0.993
local terms energy: -130.068563
where:
bonds (distance) C4'-P energy: -26.010
bonds (distance) P-C4' energy: -22.637
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: 0.082 (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: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -446.469610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.469610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.657258 (E_RNA)
where:
Base-Base interactions energy: -319.598
where: short stacking energy: -123.091
Base-Backbone interact. energy: -0.692
local terms energy: -126.367301
where:
bonds (distance) C4'-P energy: -23.430
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -37.738
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -407.309543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.309543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.991126 (E_RNA)
where:
Base-Base interactions energy: -293.559
where: short stacking energy: -122.570
Base-Backbone interact. energy: -0.236
local terms energy: -115.195745
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -27.639
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -532.986078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.986078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.016489 (E_RNA)
where:
Base-Base interactions energy: -379.914
where: short stacking energy: -164.748
Base-Backbone interact. energy: -0.730
local terms energy: -152.372048
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -532.053818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.053818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.142501 (E_RNA)
where:
Base-Base interactions energy: -378.281
where: short stacking energy: -150.086
Base-Backbone interact. energy: -0.326
local terms energy: -153.534604
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.089 (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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -515.101529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.101529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.180401 (E_RNA)
where:
Base-Base interactions energy: -362.542
where: short stacking energy: -139.865
Base-Backbone interact. energy: -0.696
local terms energy: -151.942142
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -39.702
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -491.426805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.426805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.511408 (E_RNA)
where:
Base-Base interactions energy: -349.948
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.355
local terms energy: -141.208552
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -30.716
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -37.921
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -454.085440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.085440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.692065 (E_RNA)
where:
Base-Base interactions energy: -315.755
where: short stacking energy: -131.657
Base-Backbone interact. energy: -0.228
local terms energy: -138.709906
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -28.106
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -35.209
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: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -482.757431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.757431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.984784 (E_RNA)
where:
Base-Base interactions energy: -351.944
where: short stacking energy: -134.480
Base-Backbone interact. energy: 1.502
local terms energy: -132.542533
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -34.279
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -450.394740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.394740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.557809 (E_RNA)
where:
Base-Base interactions energy: -314.747
where: short stacking energy: -129.823
Base-Backbone interact. energy: -1.598
local terms energy: -134.213172
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.163 (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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -455.967791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.967791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.998014 (E_RNA)
where:
Base-Base interactions energy: -333.247
where: short stacking energy: -124.270
Base-Backbone interact. energy: 1.135
local terms energy: -123.886292
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -26.818
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -36.225
Dist. restrs. and SS energy: 0.030 (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: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -420.500333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.500333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.814798 (E_RNA)
where:
Base-Base interactions energy: -297.514
where: short stacking energy: -111.492
Base-Backbone interact. energy: -0.767
local terms energy: -122.533727
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -27.324
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.314 (S_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: -433.407790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.407790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.009318 (E_RNA)
where:
Base-Base interactions energy: -308.356
where: short stacking energy: -120.195
Base-Backbone interact. energy: -0.623
local terms energy: -125.030318
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -33.625
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -541.052786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.052786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.162743 (E_RNA)
where:
Base-Base interactions energy: -384.733
where: short stacking energy: -151.822
Base-Backbone interact. energy: -0.962
local terms energy: -155.467806
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -39.109
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -531.117447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.117447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.118292 (E_RNA)
where:
Base-Base interactions energy: -383.219
where: short stacking energy: -157.171
Base-Backbone interact. energy: -0.315
local terms energy: -147.583783
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -28.055
flat angles C4'-P-C4' energy: -32.735
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -38.246
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -502.989943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.989943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.342659 (E_RNA)
where:
Base-Base interactions energy: -353.882
where: short stacking energy: -141.624
Base-Backbone interact. energy: -0.377
local terms energy: -149.082829
where:
bonds (distance) C4'-P energy: -27.139
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -37.030
Dist. restrs. and SS energy: 0.353 (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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -496.017021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.017021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.145805 (E_RNA)
where:
Base-Base interactions energy: -350.947
where: short stacking energy: -134.833
Base-Backbone interact. energy: -0.724
local terms energy: -144.474727
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -34.289
Dist. restrs. and SS energy: 0.129 (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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -474.671355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.671355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.806899 (E_RNA)
where:
Base-Base interactions energy: -342.846
where: short stacking energy: -139.958
Base-Backbone interact. energy: -1.645
local terms energy: -130.316496
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -34.155
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -479.808285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.808285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.061730 (E_RNA)
where:
Base-Base interactions energy: -335.174
where: short stacking energy: -133.612
Base-Backbone interact. energy: -0.415
local terms energy: -144.472972
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -36.955
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -454.366477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.366477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.912220 (E_RNA)
where:
Base-Base interactions energy: -315.575
where: short stacking energy: -129.380
Base-Backbone interact. energy: -0.244
local terms energy: -139.093621
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -33.848
Dist. restrs. and SS energy: 0.546 (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: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -461.102858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.102858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.235849 (E_RNA)
where:
Base-Base interactions energy: -336.802
where: short stacking energy: -130.452
Base-Backbone interact. energy: 0.414
local terms energy: -124.848290
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -36.042
Dist. restrs. and SS energy: 0.133 (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: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -409.905012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.905012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.294222 (E_RNA)
where:
Base-Base interactions energy: -303.338
where: short stacking energy: -122.760
Base-Backbone interact. energy: -0.337
local terms energy: -106.619771
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -30.763
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -437.671079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.671079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.692411 (E_RNA)
where:
Base-Base interactions energy: -308.779
where: short stacking energy: -111.399
Base-Backbone interact. energy: -0.220
local terms energy: -128.693670
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -22.835
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -532.205106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.205106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.321462 (E_RNA)
where:
Base-Base interactions energy: -377.295
where: short stacking energy: -149.484
Base-Backbone interact. energy: -0.030
local terms energy: -154.996349
where:
bonds (distance) C4'-P energy: -25.022
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -525.082505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.082505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.539421 (E_RNA)
where:
Base-Base interactions energy: -372.677
where: short stacking energy: -155.492
Base-Backbone interact. energy: 0.599
local terms energy: -153.461746
where:
bonds (distance) C4'-P energy: -31.956
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -37.916
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -517.313053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.313053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.650940 (E_RNA)
where:
Base-Base interactions energy: -359.448
where: short stacking energy: -147.674
Base-Backbone interact. energy: -0.690
local terms energy: -157.512817
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -32.931
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.338 (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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -486.826572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.826572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.138057 (E_RNA)
where:
Base-Base interactions energy: -342.491
where: short stacking energy: -140.816
Base-Backbone interact. energy: -0.556
local terms energy: -144.091077
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -35.160
Dist. restrs. and SS energy: 0.311 (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: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -474.728360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.728360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.067722 (E_RNA)
where:
Base-Base interactions energy: -332.570
where: short stacking energy: -144.556
Base-Backbone interact. energy: -2.240
local terms energy: -140.257286
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -28.448
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -39.959
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -484.471583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.471583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.651029 (E_RNA)
where:
Base-Base interactions energy: -343.705
where: short stacking energy: -145.005
Base-Backbone interact. energy: -0.660
local terms energy: -140.286088
where:
bonds (distance) C4'-P energy: -26.149
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -34.482
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -465.585954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.585954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.060562 (E_RNA)
where:
Base-Base interactions energy: -328.586
where: short stacking energy: -133.970
Base-Backbone interact. energy: -0.370
local terms energy: -137.104576
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -37.381
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -437.577928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.577928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.861346 (E_RNA)
where:
Base-Base interactions energy: -325.039
where: short stacking energy: -121.667
Base-Backbone interact. energy: -0.389
local terms energy: -112.433458
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -26.074
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -447.109679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.109679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.320290 (E_RNA)
where:
Base-Base interactions energy: -330.529
where: short stacking energy: -121.746
Base-Backbone interact. energy: -0.831
local terms energy: -115.959787
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -24.343
Dist. restrs. and SS energy: 0.211 (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: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -410.078499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.078499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.277727 (E_RNA)
where:
Base-Base interactions energy: -293.785
where: short stacking energy: -103.383
Base-Backbone interact. energy: -0.618
local terms energy: -115.874348
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -29.154
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -531.467172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.467172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.670010 (E_RNA)
where:
Base-Base interactions energy: -374.116
where: short stacking energy: -159.150
Base-Backbone interact. energy: -0.398
local terms energy: -157.156007
where:
bonds (distance) C4'-P energy: -29.308
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -34.478
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -42.659
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. 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: -525.251234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.251234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.290737 (E_RNA)
where:
Base-Base interactions energy: -379.512
where: short stacking energy: -155.041
Base-Backbone interact. energy: 0.136
local terms energy: -145.915000
where:
bonds (distance) C4'-P energy: -25.144
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -513.366946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.366946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.907685 (E_RNA)
where:
Base-Base interactions energy: -361.038
where: short stacking energy: -149.527
Base-Backbone interact. energy: -0.474
local terms energy: -152.395505
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -43.766
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: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -472.644971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.644971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.807396 (E_RNA)
where:
Base-Base interactions energy: -325.231
where: short stacking energy: -136.938
Base-Backbone interact. energy: 4.104
local terms energy: -151.680812
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -478.194419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.194419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.600884 (E_RNA)
where:
Base-Base interactions energy: -331.258
where: short stacking energy: -136.516
Base-Backbone interact. energy: -0.455
local terms energy: -146.887439
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -23.384
tors. eta vs tors. theta energy: -34.122
Dist. restrs. and SS energy: 0.406 (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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -488.948038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.948038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.024480 (E_RNA)
where:
Base-Base interactions energy: -347.231
where: short stacking energy: -132.843
Base-Backbone interact. energy: -1.256
local terms energy: -140.538159
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -36.144
Dist. restrs. and SS energy: 0.076 (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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -455.429428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.429428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.943338 (E_RNA)
where:
Base-Base interactions energy: -323.565
where: short stacking energy: -129.113
Base-Backbone interact. energy: 0.342
local terms energy: -132.719839
where:
bonds (distance) C4'-P energy: -26.674
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -31.284
Dist. restrs. and SS energy: 0.514 (S_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: 121
Temperature: 1.250000
Total energy: -451.752816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.752816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.044565 (E_RNA)
where:
Base-Base interactions energy: -335.998
where: short stacking energy: -135.892
Base-Backbone interact. energy: 0.998
local terms energy: -117.044636
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -31.682
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -447.660740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.953710 (E_RNA)
where:
Base-Base interactions energy: -324.296
where: short stacking energy: -122.111
Base-Backbone interact. energy: -0.292
local terms energy: -123.365455
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -33.837
Dist. restrs. and SS energy: 0.293 (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: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -405.271920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.271920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.981529 (E_RNA)
where:
Base-Base interactions energy: -278.793
where: short stacking energy: -109.250
Base-Backbone interact. energy: -1.073
local terms energy: -126.115554
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -545.788180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.788180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.923677 (E_RNA)
where:
Base-Base interactions energy: -385.166
where: short stacking energy: -160.460
Base-Backbone interact. energy: -2.450
local terms energy: -158.307149
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -32.959
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -40.305
Dist. restrs. and SS energy: 0.135 (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: 122
Temperature: 0.950000
Total energy: -529.382818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.382818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.513050 (E_RNA)
where:
Base-Base interactions energy: -376.163
where: short stacking energy: -154.154
Base-Backbone interact. energy: -0.356
local terms energy: -152.993926
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -39.359
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -505.011472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.011472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.120037 (E_RNA)
where:
Base-Base interactions energy: -347.486
where: short stacking energy: -135.674
Base-Backbone interact. energy: 0.587
local terms energy: -158.220551
where:
bonds (distance) C4'-P energy: -33.222
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -26.683
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -40.390
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -466.613949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.613949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.212820 (E_RNA)
where:
Base-Base interactions energy: -332.982
where: short stacking energy: -125.362
Base-Backbone interact. energy: -0.731
local terms energy: -133.499645
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -24.413
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: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -478.969495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.969495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.308755 (E_RNA)
where:
Base-Base interactions energy: -340.855
where: short stacking energy: -130.778
Base-Backbone interact. energy: 0.472
local terms energy: -138.925442
where:
bonds (distance) C4'-P energy: -29.157
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -28.217
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -33.621
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -483.012301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.371057 (E_RNA)
where:
Base-Base interactions energy: -346.904
where: short stacking energy: -132.951
Base-Backbone interact. energy: -1.654
local terms energy: -134.813711
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -35.755
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -463.585000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.585000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.946383 (E_RNA)
where:
Base-Base interactions energy: -326.576
where: short stacking energy: -129.782
Base-Backbone interact. energy: -0.643
local terms energy: -136.727445
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -32.096
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -424.608626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.608626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.017056 (E_RNA)
where:
Base-Base interactions energy: -311.954
where: short stacking energy: -121.809
Base-Backbone interact. energy: -0.210
local terms energy: -112.853306
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -27.422
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -33.456
Dist. restrs. and SS energy: 0.408 (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: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -449.267036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.267036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.485760 (E_RNA)
where:
Base-Base interactions energy: -329.819
where: short stacking energy: -127.614
Base-Backbone interact. energy: 0.468
local terms energy: -120.134774
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -30.338
flat angles P-C4'-P energy: -18.943
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: 0.219 (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: 122
Temperature: 1.350000
Total energy: -411.000852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.000852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.361352 (E_RNA)
where:
Base-Base interactions energy: -289.442
where: short stacking energy: -115.619
Base-Backbone interact. energy: 0.687
local terms energy: -122.606337
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -29.090
Dist. restrs. and SS energy: 0.361 (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: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -527.739125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.739125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.850165 (E_RNA)
where:
Base-Base interactions energy: -369.448
where: short stacking energy: -146.884
Base-Backbone interact. energy: -0.477
local terms energy: -157.924904
where:
bonds (distance) C4'-P energy: -30.529
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -37.725
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -517.694251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.694251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.783756 (E_RNA)
where:
Base-Base interactions energy: -365.246
where: short stacking energy: -143.868
Base-Backbone interact. energy: -0.508
local terms energy: -152.029198
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -34.914
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -508.084690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.084690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.167358 (E_RNA)
where:
Base-Base interactions energy: -367.163
where: short stacking energy: -145.140
Base-Backbone interact. energy: -0.002
local terms energy: -141.002682
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -31.845
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -38.079
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -493.535391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.535391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.843341 (E_RNA)
where:
Base-Base interactions energy: -346.602
where: short stacking energy: -137.757
Base-Backbone interact. energy: -1.415
local terms energy: -145.826998
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -453.796303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.796303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.986534 (E_RNA)
where:
Base-Base interactions energy: -323.650
where: short stacking energy: -137.407
Base-Backbone interact. energy: 2.671
local terms energy: -134.007720
where:
bonds (distance) C4'-P energy: -32.431
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -32.409
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: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -483.686965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.686965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.817438 (E_RNA)
where:
Base-Base interactions energy: -337.289
where: short stacking energy: -143.545
Base-Backbone interact. energy: -0.417
local terms energy: -146.111079
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -31.634
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -40.823
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -466.620887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.620887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.835333 (E_RNA)
where:
Base-Base interactions energy: -332.163
where: short stacking energy: -130.301
Base-Backbone interact. energy: -0.582
local terms energy: -134.089721
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -35.399
Dist. restrs. and SS energy: 0.214 (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: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -448.560299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.560299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.849466 (E_RNA)
where:
Base-Base interactions energy: -318.037
where: short stacking energy: -121.873
Base-Backbone interact. energy: -0.412
local terms energy: -130.400561
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -31.530
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -438.119674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.119674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.630039 (E_RNA)
where:
Base-Base interactions energy: -316.798
where: short stacking energy: -124.274
Base-Backbone interact. energy: -0.258
local terms energy: -121.573332
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -25.003
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -30.325
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: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -403.996934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.996934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.500150 (E_RNA)
where:
Base-Base interactions energy: -301.732
where: short stacking energy: -122.652
Base-Backbone interact. energy: -0.419
local terms energy: -103.349527
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -25.370
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: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -519.286158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.286158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.483753 (E_RNA)
where:
Base-Base interactions energy: -365.486
where: short stacking energy: -157.319
Base-Backbone interact. energy: -0.589
local terms energy: -153.408521
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -30.087
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -41.186
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -524.818315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.818315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.918143 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -147.115
Base-Backbone interact. energy: 0.248
local terms energy: -155.825526
where:
bonds (distance) C4'-P energy: -32.588
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -42.206
Dist. restrs. and SS energy: 0.100 (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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -508.164942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.164942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.233700 (E_RNA)
where:
Base-Base interactions energy: -351.532
where: short stacking energy: -145.477
Base-Backbone interact. energy: -0.006
local terms energy: -156.696102
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -31.400
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -40.436
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -503.376832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.376832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.801789 (E_RNA)
where:
Base-Base interactions energy: -357.684
where: short stacking energy: -141.494
Base-Backbone interact. energy: -1.271
local terms energy: -144.846953
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -35.975
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -493.698487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.698487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.818951 (E_RNA)
where:
Base-Base interactions energy: -346.751
where: short stacking energy: -137.366
Base-Backbone interact. energy: 1.470
local terms energy: -148.537811
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -38.287
Dist. restrs. and SS energy: 0.120 (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: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -469.003475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.003475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.316986 (E_RNA)
where:
Base-Base interactions energy: -326.511
where: short stacking energy: -126.359
Base-Backbone interact. energy: -0.572
local terms energy: -142.234275
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -29.359
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -37.684
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -474.583665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.583665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.704377 (E_RNA)
where:
Base-Base interactions energy: -340.756
where: short stacking energy: -138.667
Base-Backbone interact. energy: -0.065
local terms energy: -133.883585
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -34.748
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -456.424056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.424056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.535203 (E_RNA)
where:
Base-Base interactions energy: -323.415
where: short stacking energy: -116.990
Base-Backbone interact. energy: -0.419
local terms energy: -132.700662
where:
bonds (distance) C4'-P energy: -28.984
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -27.169
Dist. restrs. and SS energy: 0.111 (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: 124
Temperature: 1.300000
Total energy: -407.395374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.395374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.544593 (E_RNA)
where:
Base-Base interactions energy: -293.341
where: short stacking energy: -109.127
Base-Backbone interact. energy: -0.890
local terms energy: -113.313696
where:
bonds (distance) C4'-P energy: -24.917
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.149 (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: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -427.506911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.506911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.222221 (E_RNA)
where:
Base-Base interactions energy: -313.520
where: short stacking energy: -120.867
Base-Backbone interact. energy: -0.828
local terms energy: -113.874321
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -25.788
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.715 (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: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -526.369340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.369340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.589485 (E_RNA)
where:
Base-Base interactions energy: -375.584
where: short stacking energy: -158.698
Base-Backbone interact. energy: 0.372
local terms energy: -151.378187
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -38.537
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -520.444212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.444212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.857434 (E_RNA)
where:
Base-Base interactions energy: -365.287
where: short stacking energy: -153.759
Base-Backbone interact. energy: -0.286
local terms energy: -155.284203
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -42.187
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -524.759205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.759205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.950641 (E_RNA)
where:
Base-Base interactions energy: -375.612
where: short stacking energy: -150.604
Base-Backbone interact. energy: -0.796
local terms energy: -148.542720
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -31.688
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -38.022
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -513.151902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.151902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.447540 (E_RNA)
where:
Base-Base interactions energy: -362.132
where: short stacking energy: -147.322
Base-Backbone interact. energy: -0.093
local terms energy: -151.222803
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -37.976
Dist. restrs. and SS energy: 0.296 (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: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -489.044766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.044766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.838532 (E_RNA)
where:
Base-Base interactions energy: -342.513
where: short stacking energy: -133.452
Base-Backbone interact. energy: -0.840
local terms energy: -146.485235
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -33.899
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -466.007607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.007607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.200674 (E_RNA)
where:
Base-Base interactions energy: -331.287
where: short stacking energy: -132.325
Base-Backbone interact. energy: -0.765
local terms energy: -134.148882
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -33.076
Dist. restrs. and SS energy: 0.193 (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: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -472.381078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.381078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.544908 (E_RNA)
where:
Base-Base interactions energy: -341.201
where: short stacking energy: -147.145
Base-Backbone interact. energy: 0.610
local terms energy: -131.953360
where:
bonds (distance) C4'-P energy: -28.723
bonds (distance) P-C4' energy: -24.087
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -15.983
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.164 (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: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -431.063004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.063004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.727423 (E_RNA)
where:
Base-Base interactions energy: -312.128
where: short stacking energy: -121.460
Base-Backbone interact. energy: -0.582
local terms energy: -119.017652
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -29.212
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: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -421.565792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.565792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.235724 (E_RNA)
where:
Base-Base interactions energy: -309.303
where: short stacking energy: -124.466
Base-Backbone interact. energy: -1.323
local terms energy: -111.609199
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -26.738
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: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -404.871483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.871483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.962052 (E_RNA)
where:
Base-Base interactions energy: -293.431
where: short stacking energy: -112.378
Base-Backbone interact. energy: -0.223
local terms energy: -111.308254
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.091 (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: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -533.923210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.923210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.395257 (E_RNA)
where:
Base-Base interactions energy: -379.413
where: short stacking energy: -158.509
Base-Backbone interact. energy: -0.458
local terms energy: -154.523429
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -40.191
Dist. restrs. and SS energy: 0.472 (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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -527.114495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.114495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.208873 (E_RNA)
where:
Base-Base interactions energy: -368.226
where: short stacking energy: -152.452
Base-Backbone interact. energy: -0.467
local terms energy: -158.516072
where:
bonds (distance) C4'-P energy: -30.334
bonds (distance) P-C4' energy: -28.322
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -38.004
Dist. restrs. and SS energy: 0.094 (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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -506.063589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.063589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.222461 (E_RNA)
where:
Base-Base interactions energy: -359.986
where: short stacking energy: -141.979
Base-Backbone interact. energy: -0.013
local terms energy: -146.223518
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -35.872
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -501.613756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.613756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.849980 (E_RNA)
where:
Base-Base interactions energy: -358.388
where: short stacking energy: -147.142
Base-Backbone interact. energy: -0.241
local terms energy: -143.220662
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -35.956
Dist. restrs. and SS energy: 0.236 (S_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: 126
Temperature: 1.100000
Total energy: -497.408762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.408762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.509374 (E_RNA)
where:
Base-Base interactions energy: -346.178
where: short stacking energy: -141.273
Base-Backbone interact. energy: -0.633
local terms energy: -150.698193
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -463.968718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.968718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.113511 (E_RNA)
where:
Base-Base interactions energy: -318.571
where: short stacking energy: -121.852
Base-Backbone interact. energy: -1.496
local terms energy: -144.046846
where:
bonds (distance) C4'-P energy: -28.759
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -39.919
Dist. restrs. and SS energy: 0.145 (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: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -469.736664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.736664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.981943 (E_RNA)
where:
Base-Base interactions energy: -321.434
where: short stacking energy: -127.997
Base-Backbone interact. energy: -0.832
local terms energy: -148.715946
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -35.601
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -446.393395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.393395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.503629 (E_RNA)
where:
Base-Base interactions energy: -314.235
where: short stacking energy: -124.875
Base-Backbone interact. energy: 0.218
local terms energy: -132.486600
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -30.250
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -438.932438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.932438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.654105 (E_RNA)
where:
Base-Base interactions energy: -322.009
where: short stacking energy: -126.683
Base-Backbone interact. energy: -0.442
local terms energy: -117.202549
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -29.212
Dist. restrs. and SS energy: 0.722 (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: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -426.405424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.405424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.034997 (E_RNA)
where:
Base-Base interactions energy: -301.519
where: short stacking energy: -112.427
Base-Backbone interact. energy: -0.471
local terms energy: -125.044650
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.630 (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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -534.735221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.735221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.820019 (E_RNA)
where:
Base-Base interactions energy: -381.922
where: short stacking energy: -155.962
Base-Backbone interact. energy: -0.456
local terms energy: -152.441942
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -32.413
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -42.000
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -523.993650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.993650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.276604 (E_RNA)
where:
Base-Base interactions energy: -363.812
where: short stacking energy: -143.437
Base-Backbone interact. energy: -0.378
local terms energy: -160.087218
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -39.592
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -514.858563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.858563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.121126 (E_RNA)
where:
Base-Base interactions energy: -366.711
where: short stacking energy: -143.568
Base-Backbone interact. energy: -0.856
local terms energy: -147.554220
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -36.149
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -501.334974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.334974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.732954 (E_RNA)
where:
Base-Base interactions energy: -350.563
where: short stacking energy: -145.978
Base-Backbone interact. energy: -0.447
local terms energy: -150.723003
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -32.960
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -38.013
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -478.212267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.212267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.355161 (E_RNA)
where:
Base-Base interactions energy: -342.567
where: short stacking energy: -133.293
Base-Backbone interact. energy: -1.642
local terms energy: -134.146425
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -34.014
Dist. restrs. and SS energy: 0.143 (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: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -475.698097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.698097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.957325 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -132.137
Base-Backbone interact. energy: 5.824
local terms energy: -131.344074
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -32.829
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -438.463635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.463635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.725905 (E_RNA)
where:
Base-Base interactions energy: -308.355
where: short stacking energy: -130.313
Base-Backbone interact. energy: -1.470
local terms energy: -128.900675
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. 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: -449.715325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.715325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.888976 (E_RNA)
where:
Base-Base interactions energy: -322.039
where: short stacking energy: -123.360
Base-Backbone interact. energy: -0.158
local terms energy: -127.692148
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -26.901
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.174 (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: 127
Temperature: 1.300000
Total energy: -426.901864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.901864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.059358 (E_RNA)
where:
Base-Base interactions energy: -312.058
where: short stacking energy: -124.193
Base-Backbone interact. energy: -0.398
local terms energy: -114.603933
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -434.701411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.701411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.998165 (E_RNA)
where:
Base-Base interactions energy: -326.032
where: short stacking energy: -129.084
Base-Backbone interact. energy: 2.178
local terms energy: -112.143485
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -27.162
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: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -543.472411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.472411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.624199 (E_RNA)
where:
Base-Base interactions energy: -378.461
where: short stacking energy: -165.584
Base-Backbone interact. energy: -0.723
local terms energy: -164.440193
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -31.556
flat angles C4'-P-C4' energy: -32.643
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -46.451
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -524.728038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.728038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.369091 (E_RNA)
where:
Base-Base interactions energy: -370.400
where: short stacking energy: -158.363
Base-Backbone interact. energy: -0.451
local terms energy: -154.517813
where:
bonds (distance) C4'-P energy: -28.007
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.641 (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: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -519.754328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.754328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.925736 (E_RNA)
where:
Base-Base interactions energy: -370.595
where: short stacking energy: -149.649
Base-Backbone interact. energy: -0.268
local terms energy: -149.063149
where:
bonds (distance) C4'-P energy: -27.549
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -502.697518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.697518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.704018 (E_RNA)
where:
Base-Base interactions energy: -364.692
where: short stacking energy: -144.558
Base-Backbone interact. energy: -0.434
local terms energy: -137.577600
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -32.105
Dist. restrs. and SS energy: 0.006 (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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -472.867935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.867935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.976577 (E_RNA)
where:
Base-Base interactions energy: -336.392
where: short stacking energy: -126.692
Base-Backbone interact. energy: -0.983
local terms energy: -135.601452
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.109 (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: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -464.517541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.517541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.666228 (E_RNA)
where:
Base-Base interactions energy: -323.560
where: short stacking energy: -121.789
Base-Backbone interact. energy: -0.566
local terms energy: -140.539720
where:
bonds (distance) C4'-P energy: -21.980
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.149 (S_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: 128
Temperature: 1.200000
Total energy: -446.577031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.577031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.663685 (E_RNA)
where:
Base-Base interactions energy: -315.291
where: short stacking energy: -125.616
Base-Backbone interact. energy: -0.685
local terms energy: -130.688119
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.087 (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: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -468.697318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.697318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.350420 (E_RNA)
where:
Base-Base interactions energy: -333.043
where: short stacking energy: -123.296
Base-Backbone interact. energy: 1.026
local terms energy: -137.333218
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -36.517
Dist. restrs. and SS energy: 0.653 (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: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -467.554487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.554487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.076297 (E_RNA)
where:
Base-Base interactions energy: -342.836
where: short stacking energy: -138.522
Base-Backbone interact. energy: 0.204
local terms energy: -125.443849
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -29.694
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -36.463
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -414.620693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.620693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.380807 (E_RNA)
where:
Base-Base interactions energy: -309.020
where: short stacking energy: -117.721
Base-Backbone interact. energy: -0.737
local terms energy: -108.624120
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -29.559
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: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -523.877037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.877037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.933000 (E_RNA)
where:
Base-Base interactions energy: -381.082
where: short stacking energy: -152.079
Base-Backbone interact. energy: -0.366
local terms energy: -142.485166
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -41.103
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -536.866517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.866517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.921447 (E_RNA)
where:
Base-Base interactions energy: -378.663
where: short stacking energy: -147.342
Base-Backbone interact. energy: -0.413
local terms energy: -157.845938
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -31.813
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -42.337
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -517.877653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.877653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.083461 (E_RNA)
where:
Base-Base interactions energy: -365.883
where: short stacking energy: -145.505
Base-Backbone interact. energy: -0.202
local terms energy: -151.998653
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -42.027
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -496.918566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.918566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.982244 (E_RNA)
where:
Base-Base interactions energy: -356.053
where: short stacking energy: -148.239
Base-Backbone interact. energy: -0.159
local terms energy: -140.770445
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -476.738522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.738522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.855414 (E_RNA)
where:
Base-Base interactions energy: -332.164
where: short stacking energy: -136.570
Base-Backbone interact. energy: -0.526
local terms energy: -144.164761
where:
bonds (distance) C4'-P energy: -25.470
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -34.555
Dist. restrs. and SS energy: 0.117 (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: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -453.199353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.199353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.436695 (E_RNA)
where:
Base-Base interactions energy: -322.527
where: short stacking energy: -119.985
Base-Backbone interact. energy: 0.013
local terms energy: -130.923077
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -24.320
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -30.003
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -462.685528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.685528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.765390 (E_RNA)
where:
Base-Base interactions energy: -326.104
where: short stacking energy: -128.088
Base-Backbone interact. energy: -0.385
local terms energy: -136.276490
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.080 (S_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: 129
Temperature: 1.250000
Total energy: -462.998243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.998243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.496923 (E_RNA)
where:
Base-Base interactions energy: -338.091
where: short stacking energy: -126.040
Base-Backbone interact. energy: -1.743
local terms energy: -123.663535
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -32.603
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -439.305391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.305391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.504075 (E_RNA)
where:
Base-Base interactions energy: -313.600
where: short stacking energy: -120.478
Base-Backbone interact. energy: 1.999
local terms energy: -127.903172
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -29.516
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -403.147880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.147880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.995786 (E_RNA)
where:
Base-Base interactions energy: -288.063
where: short stacking energy: -104.586
Base-Backbone interact. energy: -0.376
local terms energy: -119.557118
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -28.726
flat angles C4'-P-C4' energy: -24.724
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 4.848 (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: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -532.183475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.183475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.277409 (E_RNA)
where:
Base-Base interactions energy: -373.116
where: short stacking energy: -151.067
Base-Backbone interact. energy: -0.361
local terms energy: -158.800714
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -27.749
tors. eta vs tors. theta energy: -39.826
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -516.547186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.547186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.881596 (E_RNA)
where:
Base-Base interactions energy: -361.457
where: short stacking energy: -155.870
Base-Backbone interact. energy: -0.257
local terms energy: -155.167121
where:
bonds (distance) C4'-P energy: -22.009
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -35.010
flat angles P-C4'-P energy: -24.430
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -502.895295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.895295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.997007 (E_RNA)
where:
Base-Base interactions energy: -353.139
where: short stacking energy: -150.468
Base-Backbone interact. energy: -0.865
local terms energy: -148.992764
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.102 (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: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -504.693008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.693008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.227654 (E_RNA)
where:
Base-Base interactions energy: -356.631
where: short stacking energy: -155.716
Base-Backbone interact. energy: -0.734
local terms energy: -147.862409
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -34.242
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -40.331
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -491.912949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.912949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.084841 (E_RNA)
where:
Base-Base interactions energy: -340.723
where: short stacking energy: -138.457
Base-Backbone interact. energy: -0.416
local terms energy: -150.945806
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -455.606929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.606929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.846081 (E_RNA)
where:
Base-Base interactions energy: -324.342
where: short stacking energy: -126.211
Base-Backbone interact. energy: -0.489
local terms energy: -131.015494
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -479.322459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.322459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.664429 (E_RNA)
where:
Base-Base interactions energy: -343.733
where: short stacking energy: -139.381
Base-Backbone interact. energy: -0.475
local terms energy: -135.455753
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -28.943
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -33.444
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -457.883508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.883508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.078472 (E_RNA)
where:
Base-Base interactions energy: -346.379
where: short stacking energy: -135.937
Base-Backbone interact. energy: 1.006
local terms energy: -112.705630
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -29.456
Dist. restrs. and SS energy: 0.195 (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: 130
Temperature: 1.300000
Total energy: -449.226753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.226753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.324814 (E_RNA)
where:
Base-Base interactions energy: -314.118
where: short stacking energy: -126.286
Base-Backbone interact. energy: -1.875
local terms energy: -133.331595
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -391.566417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.566417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.254800 (E_RNA)
where:
Base-Base interactions energy: -272.750
where: short stacking energy: -95.426
Base-Backbone interact. energy: -0.219
local terms energy: -119.285213
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -33.017
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.688 (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: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -530.244703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.244703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.615841 (E_RNA)
where:
Base-Base interactions energy: -368.558
where: short stacking energy: -142.096
Base-Backbone interact. energy: -0.599
local terms energy: -161.459262
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -23.647
tors. eta vs tors. theta energy: -40.748
Dist. restrs. and SS energy: 0.371 (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: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -523.282938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.282938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.539649 (E_RNA)
where:
Base-Base interactions energy: -367.022
where: short stacking energy: -147.161
Base-Backbone interact. energy: -1.009
local terms energy: -155.508924
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -40.130
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -509.059254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.181167 (E_RNA)
where:
Base-Base interactions energy: -354.463
where: short stacking energy: -147.065
Base-Backbone interact. energy: -0.738
local terms energy: -153.980143
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: -40.092
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -505.176437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.176437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.388745 (E_RNA)
where:
Base-Base interactions energy: -349.608
where: short stacking energy: -155.350
Base-Backbone interact. energy: -1.563
local terms energy: -154.218284
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -494.286996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.286996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.431693 (E_RNA)
where:
Base-Base interactions energy: -353.342
where: short stacking energy: -132.533
Base-Backbone interact. energy: -0.371
local terms energy: -140.718282
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -466.183346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.183346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.407215 (E_RNA)
where:
Base-Base interactions energy: -323.163
where: short stacking energy: -120.303
Base-Backbone interact. energy: -2.546
local terms energy: -140.698314
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -23.976
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -464.505442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.505442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.839780 (E_RNA)
where:
Base-Base interactions energy: -337.467
where: short stacking energy: -135.412
Base-Backbone interact. energy: -0.545
local terms energy: -126.827821
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -35.538
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -452.415004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.415004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.481885 (E_RNA)
where:
Base-Base interactions energy: -318.146
where: short stacking energy: -120.127
Base-Backbone interact. energy: -0.748
local terms energy: -133.587125
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -34.043
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -444.686866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.686866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.960491 (E_RNA)
where:
Base-Base interactions energy: -318.348
where: short stacking energy: -119.685
Base-Backbone interact. energy: -0.442
local terms energy: -126.169733
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.274 (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: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -396.129218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.129218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.523726 (E_RNA)
where:
Base-Base interactions energy: -271.217
where: short stacking energy: -111.441
Base-Backbone interact. energy: -0.065
local terms energy: -125.241789
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -23.899
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: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -529.325576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.325576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.343466 (E_RNA)
where:
Base-Base interactions energy: -374.645
where: short stacking energy: -152.886
Base-Backbone interact. energy: -1.057
local terms energy: -153.641691
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -41.021
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -522.320390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.320390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.437556 (E_RNA)
where:
Base-Base interactions energy: -363.290
where: short stacking energy: -145.219
Base-Backbone interact. energy: 0.584
local terms energy: -159.731871
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -39.173
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -512.665737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.665737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.802138 (E_RNA)
where:
Base-Base interactions energy: -368.649
where: short stacking energy: -145.143
Base-Backbone interact. energy: -1.122
local terms energy: -143.030715
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -34.757
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -503.519651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.519651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.917224 (E_RNA)
where:
Base-Base interactions energy: -362.903
where: short stacking energy: -142.982
Base-Backbone interact. energy: -1.687
local terms energy: -139.327468
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -34.993
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -470.188051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.188051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.719679 (E_RNA)
where:
Base-Base interactions energy: -330.728
where: short stacking energy: -129.602
Base-Backbone interact. energy: -1.793
local terms energy: -138.198864
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -29.446
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -32.928
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -467.679850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.679850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.885120 (E_RNA)
where:
Base-Base interactions energy: -346.220
where: short stacking energy: -134.098
Base-Backbone interact. energy: 0.603
local terms energy: -122.267338
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -29.120
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -37.415
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -439.047236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.047236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.528787 (E_RNA)
where:
Base-Base interactions energy: -304.143
where: short stacking energy: -120.262
Base-Backbone interact. energy: -0.733
local terms energy: -134.652727
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -20.428
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -450.433408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.433408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.511857 (E_RNA)
where:
Base-Base interactions energy: -320.455
where: short stacking energy: -118.610
Base-Backbone interact. energy: -0.864
local terms energy: -129.192619
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -454.717436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.717436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.487867 (E_RNA)
where:
Base-Base interactions energy: -326.384
where: short stacking energy: -123.653
Base-Backbone interact. energy: -0.804
local terms energy: -128.300156
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -31.593
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -407.404150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.404150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.123602 (E_RNA)
where:
Base-Base interactions energy: -279.949
where: short stacking energy: -119.672
Base-Backbone interact. energy: 0.642
local terms energy: -130.816377
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -27.517
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -534.894555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.894555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.926376 (E_RNA)
where:
Base-Base interactions energy: -377.786
where: short stacking energy: -143.652
Base-Backbone interact. energy: -1.189
local terms energy: -155.952178
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -525.741878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.741878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.900546 (E_RNA)
where:
Base-Base interactions energy: -371.417
where: short stacking energy: -155.575
Base-Backbone interact. energy: -1.457
local terms energy: -153.027252
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -520.264055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.264055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.354365 (E_RNA)
where:
Base-Base interactions energy: -372.650
where: short stacking energy: -149.106
Base-Backbone interact. energy: 7.019
local terms energy: -154.722761
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -28.053
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -24.183
tors. eta vs tors. theta energy: -40.491
Dist. restrs. and SS energy: 0.090 (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: 133
Temperature: 1.050000
Total energy: -509.193998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.193998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.415778 (E_RNA)
where:
Base-Base interactions energy: -359.966
where: short stacking energy: -140.907
Base-Backbone interact. energy: -0.432
local terms energy: -149.017785
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.222 (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: 133
Temperature: 1.100000
Total energy: -479.859227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.859227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.238511 (E_RNA)
where:
Base-Base interactions energy: -332.433
where: short stacking energy: -129.429
Base-Backbone interact. energy: -0.693
local terms energy: -147.113208
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -35.613
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -475.762009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.762009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.899533 (E_RNA)
where:
Base-Base interactions energy: -340.371
where: short stacking energy: -133.544
Base-Backbone interact. energy: -0.137
local terms energy: -135.391597
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -32.008
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: 0.138 (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: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -458.679382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.679382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.711183 (E_RNA)
where:
Base-Base interactions energy: -328.433
where: short stacking energy: -142.455
Base-Backbone interact. energy: -1.164
local terms energy: -130.113754
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -23.745
flat angles P-C4'-P energy: -19.062
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 1.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -456.392074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.392074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.481352 (E_RNA)
where:
Base-Base interactions energy: -331.290
where: short stacking energy: -129.933
Base-Backbone interact. energy: 2.920
local terms energy: -128.111754
where:
bonds (distance) C4'-P energy: -24.328
bonds (distance) P-C4' energy: -29.982
flat angles C4'-P-C4' energy: -28.546
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -33.103
Dist. restrs. and SS energy: 0.089 (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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -438.919367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.919367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.245878 (E_RNA)
where:
Base-Base interactions energy: -320.014
where: short stacking energy: -122.645
Base-Backbone interact. energy: -0.396
local terms energy: -118.835040
where:
bonds (distance) C4'-P energy: -29.290
bonds (distance) P-C4' energy: -22.840
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -28.132
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -407.338657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.338657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.569315 (E_RNA)
where:
Base-Base interactions energy: -289.782
where: short stacking energy: -102.951
Base-Backbone interact. energy: 1.189
local terms energy: -118.975695
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -24.826
flat angles P-C4'-P energy: -16.608
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -532.467643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.467643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.571062 (E_RNA)
where:
Base-Base interactions energy: -365.404
where: short stacking energy: -154.009
Base-Backbone interact. energy: -0.400
local terms energy: -166.766596
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -39.138
Dist. restrs. and SS energy: 0.103 (S_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: 134
Temperature: 0.950000
Total energy: -523.376786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.376786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.481036 (E_RNA)
where:
Base-Base interactions energy: -376.152
where: short stacking energy: -154.117
Base-Backbone interact. energy: -0.037
local terms energy: -147.291849
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: 0.104 (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: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -523.196371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.196371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.329107 (E_RNA)
where:
Base-Base interactions energy: -365.061
where: short stacking energy: -141.377
Base-Backbone interact. energy: 0.012
local terms energy: -158.279845
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -38.742
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -501.855702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.855702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.027411 (E_RNA)
where:
Base-Base interactions energy: -367.502
where: short stacking energy: -152.468
Base-Backbone interact. energy: 0.440
local terms energy: -134.965314
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -36.711
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -482.612665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.612665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.651604 (E_RNA)
where:
Base-Base interactions energy: -345.210
where: short stacking energy: -137.699
Base-Backbone interact. energy: -0.449
local terms energy: -136.992862
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -36.327
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -452.252943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.252943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.090955 (E_RNA)
where:
Base-Base interactions energy: -312.893
where: short stacking energy: -125.769
Base-Backbone interact. energy: -1.178
local terms energy: -139.019482
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -35.693
Dist. restrs. and SS energy: 0.838 (S_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: 134
Temperature: 1.200000
Total energy: -467.896190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.896190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.199916 (E_RNA)
where:
Base-Base interactions energy: -330.391
where: short stacking energy: -131.683
Base-Backbone interact. energy: 0.633
local terms energy: -138.442264
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -27.970
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -34.109
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -465.735768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.773663 (E_RNA)
where:
Base-Base interactions energy: -328.141
where: short stacking energy: -137.335
Base-Backbone interact. energy: -0.543
local terms energy: -138.089232
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -26.008
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -33.085
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: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -444.461278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.461278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.648670 (E_RNA)
where:
Base-Base interactions energy: -313.806
where: short stacking energy: -120.401
Base-Backbone interact. energy: -0.702
local terms energy: -131.140293
where:
bonds (distance) C4'-P energy: -23.347
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -34.371
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: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -403.939727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.939727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.164070 (E_RNA)
where:
Base-Base interactions energy: -289.699
where: short stacking energy: -107.393
Base-Backbone interact. energy: -1.648
local terms energy: -112.816885
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -539.073394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.073394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.265598 (E_RNA)
where:
Base-Base interactions energy: -387.205
where: short stacking energy: -158.044
Base-Backbone interact. energy: -0.801
local terms energy: -151.259463
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -32.168
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -524.120546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.120546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.640033 (E_RNA)
where:
Base-Base interactions energy: -373.715
where: short stacking energy: -155.564
Base-Backbone interact. energy: -3.003
local terms energy: -147.921787
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -40.151
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -510.438581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.438581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.552618 (E_RNA)
where:
Base-Base interactions energy: -362.223
where: short stacking energy: -142.614
Base-Backbone interact. energy: -0.584
local terms energy: -147.746017
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -37.944
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -515.841857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.841857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.368890 (E_RNA)
where:
Base-Base interactions energy: -368.264
where: short stacking energy: -138.276
Base-Backbone interact. energy: -1.653
local terms energy: -146.451511
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -35.638
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -474.054291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.054291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.238273 (E_RNA)
where:
Base-Base interactions energy: -332.939
where: short stacking energy: -138.489
Base-Backbone interact. energy: 0.470
local terms energy: -141.768449
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -30.664
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -34.303
Dist. restrs. and SS energy: 0.184 (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: 135
Temperature: 1.150000
Total energy: -484.565823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.565823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.786936 (E_RNA)
where:
Base-Base interactions energy: -344.392
where: short stacking energy: -132.817
Base-Backbone interact. energy: 0.379
local terms energy: -140.774225
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -32.910
Dist. restrs. and SS energy: 0.221 (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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -447.012045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.012045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.191065 (E_RNA)
where:
Base-Base interactions energy: -320.785
where: short stacking energy: -118.511
Base-Backbone interact. energy: -0.476
local terms energy: -125.930084
where:
bonds (distance) C4'-P energy: -28.838
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -456.785127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.785127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.267188 (E_RNA)
where:
Base-Base interactions energy: -324.885
where: short stacking energy: -123.991
Base-Backbone interact. energy: -0.583
local terms energy: -131.799214
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: -31.465
Dist. restrs. and SS energy: 0.482 (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: 135
Temperature: 1.300000
Total energy: -453.173997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.173997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.336607 (E_RNA)
where:
Base-Base interactions energy: -332.500
where: short stacking energy: -127.951
Base-Backbone interact. energy: -1.602
local terms energy: -119.234034
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -31.086
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -414.188820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.188820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.801934 (E_RNA)
where:
Base-Base interactions energy: -296.108
where: short stacking energy: -115.204
Base-Backbone interact. energy: 2.078
local terms energy: -120.772074
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.613 (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: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -537.816654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.816654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.079589 (E_RNA)
where:
Base-Base interactions energy: -377.394
where: short stacking energy: -161.401
Base-Backbone interact. energy: 0.514
local terms energy: -161.199308
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -28.853
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -42.590
Dist. restrs. and SS energy: 0.263 (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: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -529.474185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.474185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.488779 (E_RNA)
where:
Base-Base interactions energy: -380.159
where: short stacking energy: -156.973
Base-Backbone interact. energy: 2.159
local terms energy: -151.488582
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -31.735
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -42.401
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -501.452690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.452690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.658453 (E_RNA)
where:
Base-Base interactions energy: -364.232
where: short stacking energy: -142.223
Base-Backbone interact. energy: 1.369
local terms energy: -138.795884
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -30.535
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -32.930
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -504.531026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.531026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.646998 (E_RNA)
where:
Base-Base interactions energy: -353.395
where: short stacking energy: -145.087
Base-Backbone interact. energy: -0.480
local terms energy: -153.771501
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -34.590
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -38.163
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: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -495.913966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.913966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.078407 (E_RNA)
where:
Base-Base interactions energy: -354.812
where: short stacking energy: -150.363
Base-Backbone interact. energy: 3.878
local terms energy: -145.143750
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -39.118
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -462.822711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.822711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.294901 (E_RNA)
where:
Base-Base interactions energy: -324.445
where: short stacking energy: -131.348
Base-Backbone interact. energy: -0.480
local terms energy: -138.369821
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -30.845
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -477.338962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.338962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.449390 (E_RNA)
where:
Base-Base interactions energy: -340.685
where: short stacking energy: -141.089
Base-Backbone interact. energy: -0.453
local terms energy: -136.311552
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -28.321
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -37.675
Dist. restrs. and SS energy: 0.110 (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: 136
Temperature: 1.250000
Total energy: -437.933019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.933019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.138491 (E_RNA)
where:
Base-Base interactions energy: -311.910
where: short stacking energy: -128.709
Base-Backbone interact. energy: -0.641
local terms energy: -125.587334
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -420.754985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.754985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.298647 (E_RNA)
where:
Base-Base interactions energy: -314.235
where: short stacking energy: -124.246
Base-Backbone interact. energy: -0.460
local terms energy: -106.603870
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -430.644074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.644074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.715889 (E_RNA)
where:
Base-Base interactions energy: -313.421
where: short stacking energy: -117.229
Base-Backbone interact. energy: -0.475
local terms energy: -116.820187
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -533.505991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.505991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.633112 (E_RNA)
where:
Base-Base interactions energy: -378.719
where: short stacking energy: -145.202
Base-Backbone interact. energy: -0.582
local terms energy: -154.332695
where:
bonds (distance) C4'-P energy: -30.090
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -515.294020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.294020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.306630 (E_RNA)
where:
Base-Base interactions energy: -371.592
where: short stacking energy: -157.165
Base-Backbone interact. energy: -0.323
local terms energy: -143.392269
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -506.150429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.150429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.675425 (E_RNA)
where:
Base-Base interactions energy: -364.581
where: short stacking energy: -152.348
Base-Backbone interact. energy: -0.284
local terms energy: -141.809824
where:
bonds (distance) C4'-P energy: -29.502
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -40.223
Dist. restrs. and SS energy: 0.525 (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: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -506.211187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.211187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.320142 (E_RNA)
where:
Base-Base interactions energy: -355.776
where: short stacking energy: -146.401
Base-Backbone interact. energy: -0.646
local terms energy: -149.898083
where:
bonds (distance) C4'-P energy: -28.363
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -40.456
Dist. restrs. and SS energy: 0.109 (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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -493.676126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.676126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.772434 (E_RNA)
where:
Base-Base interactions energy: -353.676
where: short stacking energy: -142.705
Base-Backbone interact. energy: -0.309
local terms energy: -139.787263
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -36.774
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -468.205866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.205866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.260276 (E_RNA)
where:
Base-Base interactions energy: -335.455
where: short stacking energy: -130.301
Base-Backbone interact. energy: -0.640
local terms energy: -132.164766
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -30.917
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -466.372302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.372302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.395697 (E_RNA)
where:
Base-Base interactions energy: -321.063
where: short stacking energy: -127.084
Base-Backbone interact. energy: -0.693
local terms energy: -144.639554
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -419.707591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.707591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.333173 (E_RNA)
where:
Base-Base interactions energy: -301.695
where: short stacking energy: -120.278
Base-Backbone interact. energy: -0.940
local terms energy: -117.697981
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -28.010
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -439.440351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.440351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.583285 (E_RNA)
where:
Base-Base interactions energy: -301.692
where: short stacking energy: -119.022
Base-Backbone interact. energy: -0.680
local terms energy: -137.211171
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.143 (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: 137
Temperature: 1.350000
Total energy: -413.960233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.960233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.379386 (E_RNA)
where:
Base-Base interactions energy: -294.390
where: short stacking energy: -118.452
Base-Backbone interact. energy: -0.322
local terms energy: -119.667375
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -28.928
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -28.996
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -534.999183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.999183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.269284 (E_RNA)
where:
Base-Base interactions energy: -376.151
where: short stacking energy: -160.707
Base-Backbone interact. energy: -0.275
local terms energy: -158.843173
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -32.515
flat angles P-C4'-P energy: -26.189
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -526.937327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.937327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.034065 (E_RNA)
where:
Base-Base interactions energy: -372.326
where: short stacking energy: -154.511
Base-Backbone interact. energy: -0.329
local terms energy: -154.378854
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -38.269
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -514.235990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.235990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.471114 (E_RNA)
where:
Base-Base interactions energy: -355.995
where: short stacking energy: -148.639
Base-Backbone interact. energy: -0.678
local terms energy: -157.797628
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -45.461
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -500.588109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.588109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.811208 (E_RNA)
where:
Base-Base interactions energy: -351.372
where: short stacking energy: -142.482
Base-Backbone interact. energy: -0.403
local terms energy: -149.036211
where:
bonds (distance) C4'-P energy: -25.346
bonds (distance) P-C4' energy: -31.009
flat angles C4'-P-C4' energy: -32.689
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -38.121
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -492.746521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.746521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.869365 (E_RNA)
where:
Base-Base interactions energy: -355.386
where: short stacking energy: -142.341
Base-Backbone interact. energy: -0.851
local terms energy: -136.632460
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -28.307
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -32.956
Dist. restrs. and SS energy: 0.123 (S_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: 138
Temperature: 1.150000
Total energy: -450.237876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.237876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.488334 (E_RNA)
where:
Base-Base interactions energy: -322.827
where: short stacking energy: -117.751
Base-Backbone interact. energy: -0.870
local terms energy: -126.791007
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -29.861
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -460.708525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.708525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.797534 (E_RNA)
where:
Base-Base interactions energy: -330.647
where: short stacking energy: -140.483
Base-Backbone interact. energy: -0.335
local terms energy: -129.816173
where:
bonds (distance) C4'-P energy: -24.869
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -32.231
Dist. restrs. and SS energy: 0.089 (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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -469.725635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.725635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.024925 (E_RNA)
where:
Base-Base interactions energy: -329.877
where: short stacking energy: -131.453
Base-Backbone interact. energy: 0.425
local terms energy: -140.572378
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -37.685
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: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -458.190159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.190159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.455483 (E_RNA)
where:
Base-Base interactions energy: -333.429
where: short stacking energy: -135.227
Base-Backbone interact. energy: -0.525
local terms energy: -124.501514
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: -34.879
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -414.914195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.914195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.181159 (E_RNA)
where:
Base-Base interactions energy: -297.208
where: short stacking energy: -122.042
Base-Backbone interact. energy: -0.461
local terms energy: -117.512357
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -536.028183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.189286 (E_RNA)
where:
Base-Base interactions energy: -382.048
where: short stacking energy: -154.828
Base-Backbone interact. energy: -0.293
local terms energy: -153.848689
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -37.017
Dist. restrs. and SS energy: 0.161 (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: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -525.574666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.574666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.812813 (E_RNA)
where:
Base-Base interactions energy: -369.281
where: short stacking energy: -151.822
Base-Backbone interact. energy: 0.228
local terms energy: -156.759818
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -31.084
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -41.663
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -516.938888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.938888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.979642 (E_RNA)
where:
Base-Base interactions energy: -357.802
where: short stacking energy: -141.224
Base-Backbone interact. energy: -0.800
local terms energy: -158.378184
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -31.400
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -40.582
Dist. restrs. and SS energy: 0.041 (S_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: 139
Temperature: 1.050000
Total energy: -504.928846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.928846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.150983 (E_RNA)
where:
Base-Base interactions energy: -360.446
where: short stacking energy: -150.061
Base-Backbone interact. energy: 0.913
local terms energy: -145.617464
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -24.989
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.222 (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: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -486.408255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.408255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.949529 (E_RNA)
where:
Base-Base interactions energy: -346.630
where: short stacking energy: -145.195
Base-Backbone interact. energy: -0.775
local terms energy: -139.544960
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -40.834
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: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -488.686850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.686850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.099229 (E_RNA)
where:
Base-Base interactions energy: -340.492
where: short stacking energy: -147.392
Base-Backbone interact. energy: -0.036
local terms energy: -148.571705
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.412 (S_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: -440.604315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.604315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.740787 (E_RNA)
where:
Base-Base interactions energy: -304.303
where: short stacking energy: -124.587
Base-Backbone interact. energy: 1.409
local terms energy: -137.846581
where:
bonds (distance) C4'-P energy: -27.977
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -34.874
Dist. restrs. and SS energy: 0.136 (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: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -456.773299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.125097 (E_RNA)
where:
Base-Base interactions energy: -331.975
where: short stacking energy: -134.040
Base-Backbone interact. energy: 0.124
local terms energy: -125.274693
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -37.533
Dist. restrs. and SS energy: 0.352 (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: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -443.570050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.570050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.007715 (E_RNA)
where:
Base-Base interactions energy: -317.919
where: short stacking energy: -131.578
Base-Backbone interact. energy: -0.167
local terms energy: -125.921671
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -20.736
tors. eta vs tors. theta energy: -31.714
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -403.166597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.166597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.621617 (E_RNA)
where:
Base-Base interactions energy: -287.112
where: short stacking energy: -110.265
Base-Backbone interact. energy: -0.900
local terms energy: -115.609404
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -550.164613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.164613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.285604 (E_RNA)
where:
Base-Base interactions energy: -392.089
where: short stacking energy: -163.150
Base-Backbone interact. energy: -0.260
local terms energy: -157.937032
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -28.433
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -41.066
Dist. restrs. and SS energy: 0.121 (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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -522.116820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.116820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.215859 (E_RNA)
where:
Base-Base interactions energy: -365.827
where: short stacking energy: -147.231
Base-Backbone interact. energy: -0.696
local terms energy: -155.693625
where:
bonds (distance) C4'-P energy: -30.613
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -39.191
Dist. restrs. and SS energy: 0.099 (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: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -513.999098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.999098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.389664 (E_RNA)
where:
Base-Base interactions energy: -362.257
where: short stacking energy: -129.042
Base-Backbone interact. energy: -0.835
local terms energy: -151.297646
where:
bonds (distance) C4'-P energy: -30.889
bonds (distance) P-C4' energy: -32.446
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -36.081
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -509.141020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.141020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.323100 (E_RNA)
where:
Base-Base interactions energy: -362.592
where: short stacking energy: -141.064
Base-Backbone interact. energy: -0.880
local terms energy: -145.850828
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -21.802
tors. eta vs tors. theta energy: -40.730
Dist. restrs. and SS energy: 0.182 (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: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -496.154896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.154896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.253030 (E_RNA)
where:
Base-Base interactions energy: -352.418
where: short stacking energy: -145.962
Base-Backbone interact. energy: -0.360
local terms energy: -143.475192
where:
bonds (distance) C4'-P energy: -29.127
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -37.104
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -483.537353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.537353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.950641 (E_RNA)
where:
Base-Base interactions energy: -346.835
where: short stacking energy: -138.243
Base-Backbone interact. energy: -0.833
local terms energy: -136.282467
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -437.845724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.845724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.184900 (E_RNA)
where:
Base-Base interactions energy: -306.241
where: short stacking energy: -123.718
Base-Backbone interact. energy: -0.828
local terms energy: -131.116210
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -26.489
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -31.047
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -457.618983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.618983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.812811 (E_RNA)
where:
Base-Base interactions energy: -323.441
where: short stacking energy: -129.587
Base-Backbone interact. energy: -0.698
local terms energy: -133.673374
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -32.345
flat angles P-C4'-P energy: -23.333
tors. eta vs tors. theta energy: -32.441
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -423.228460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.228460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.416779 (E_RNA)
where:
Base-Base interactions energy: -308.253
where: short stacking energy: -126.826
Base-Backbone interact. energy: -0.636
local terms energy: -114.527411
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -29.732
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -434.069423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.069423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.145234 (E_RNA)
where:
Base-Base interactions energy: -306.888
where: short stacking energy: -110.457
Base-Backbone interact. energy: -0.606
local terms energy: -126.650477
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -537.997414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.997414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.104758 (E_RNA)
where:
Base-Base interactions energy: -378.060
where: short stacking energy: -153.410
Base-Backbone interact. energy: -0.470
local terms energy: -159.574775
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -42.378
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -531.827868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.827868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.150806 (E_RNA)
where:
Base-Base interactions energy: -374.191
where: short stacking energy: -157.457
Base-Backbone interact. energy: -0.487
local terms energy: -157.472949
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -46.032
Dist. restrs. and SS energy: 0.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -520.366293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.366293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.696397 (E_RNA)
where:
Base-Base interactions energy: -366.308
where: short stacking energy: -141.496
Base-Backbone interact. energy: 1.779
local terms energy: -156.167673
where:
bonds (distance) C4'-P energy: -29.939
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -42.908
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -518.445654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.445654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.619156 (E_RNA)
where:
Base-Base interactions energy: -375.644
where: short stacking energy: -154.106
Base-Backbone interact. energy: -0.389
local terms energy: -142.586545
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -31.709
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -38.202
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -484.385119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.385119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.409914 (E_RNA)
where:
Base-Base interactions energy: -340.796
where: short stacking energy: -142.099
Base-Backbone interact. energy: -1.100
local terms energy: -142.513910
where:
bonds (distance) C4'-P energy: -28.359
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -37.553
Dist. restrs. and SS energy: 0.025 (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: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -447.423619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.423619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.242557 (E_RNA)
where:
Base-Base interactions energy: -320.362
where: short stacking energy: -126.092
Base-Backbone interact. energy: -1.049
local terms energy: -126.831592
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -24.120
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -31.270
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: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -453.746764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.746764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.952227 (E_RNA)
where:
Base-Base interactions energy: -329.766
where: short stacking energy: -131.515
Base-Backbone interact. energy: 4.884
local terms energy: -129.069796
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -437.798182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.798182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.069269 (E_RNA)
where:
Base-Base interactions energy: -302.989
where: short stacking energy: -124.121
Base-Backbone interact. energy: -0.007
local terms energy: -135.072916
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -27.496
flat angles C4'-P-C4' energy: -29.834
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -31.227
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -464.046715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.046715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.339320 (E_RNA)
where:
Base-Base interactions energy: -337.832
where: short stacking energy: -133.320
Base-Backbone interact. energy: -0.571
local terms energy: -125.937211
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -27.425
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -32.775
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -434.533797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.533797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.080000 (E_RNA)
where:
Base-Base interactions energy: -301.297
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.213
local terms energy: -133.570845
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -32.330
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -519.525365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.525365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.675280 (E_RNA)
where:
Base-Base interactions energy: -361.253
where: short stacking energy: -152.910
Base-Backbone interact. energy: -2.216
local terms energy: -156.206392
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -40.026
Dist. restrs. and SS energy: 0.150 (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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -522.364420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.364420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.113524 (E_RNA)
where:
Base-Base interactions energy: -373.232
where: short stacking energy: -152.986
Base-Backbone interact. energy: -0.523
local terms energy: -149.358017
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -42.017
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -512.074933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.074933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.382099 (E_RNA)
where:
Base-Base interactions energy: -375.098
where: short stacking energy: -154.605
Base-Backbone interact. energy: -0.672
local terms energy: -136.612250
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -21.377
tors. eta vs tors. theta energy: -34.541
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -486.604911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.604911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.643055 (E_RNA)
where:
Base-Base interactions energy: -340.977
where: short stacking energy: -139.901
Base-Backbone interact. energy: -0.942
local terms energy: -144.724148
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -461.965361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.965361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.213065 (E_RNA)
where:
Base-Base interactions energy: -342.978
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.172
local terms energy: -119.063481
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -37.626
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: 142
Temperature: 1.150000
Total energy: -471.378077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.378077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.891561 (E_RNA)
where:
Base-Base interactions energy: -327.425
where: short stacking energy: -136.777
Base-Backbone interact. energy: -0.306
local terms energy: -144.161157
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -29.637
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -41.337
Dist. restrs. and SS energy: 0.513 (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: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -460.527664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.527664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.737317 (E_RNA)
where:
Base-Base interactions energy: -335.546
where: short stacking energy: -132.335
Base-Backbone interact. energy: -0.510
local terms energy: -124.681686
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -35.640
Dist. restrs. and SS energy: 0.210 (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: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -438.302528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.302528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.663431 (E_RNA)
where:
Base-Base interactions energy: -308.668
where: short stacking energy: -120.028
Base-Backbone interact. energy: -0.346
local terms energy: -129.649543
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -26.542
flat angles C4'-P-C4' energy: -28.575
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -450.101144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.101144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.103794 (E_RNA)
where:
Base-Base interactions energy: -320.237
where: short stacking energy: -132.448
Base-Backbone interact. energy: 1.685
local terms energy: -132.552348
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -34.697
Dist. restrs. and SS energy: 1.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -447.703228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.703228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.220457 (E_RNA)
where:
Base-Base interactions energy: -321.886
where: short stacking energy: -116.159
Base-Backbone interact. energy: 3.740
local terms energy: -130.074369
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -29.975
Dist. restrs. and SS energy: 0.517 (S_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: 143
Temperature: 0.900000
Total energy: -532.791970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.791970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.176229 (E_RNA)
where:
Base-Base interactions energy: -374.418
where: short stacking energy: -158.576
Base-Backbone interact. energy: -0.635
local terms energy: -158.123153
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -537.155698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.155698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.533709 (E_RNA)
where:
Base-Base interactions energy: -380.736
where: short stacking energy: -156.962
Base-Backbone interact. energy: -0.457
local terms energy: -156.340830
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -31.409
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -42.774
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -523.168176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.168176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.023894 (E_RNA)
where:
Base-Base interactions energy: -375.593
where: short stacking energy: -150.354
Base-Backbone interact. energy: 0.025
local terms energy: -148.455535
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -29.924
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -40.843
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -496.983024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.983024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.513407 (E_RNA)
where:
Base-Base interactions energy: -351.984
where: short stacking energy: -143.112
Base-Backbone interact. energy: -0.211
local terms energy: -145.318662
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -36.852
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -467.846740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.958412 (E_RNA)
where:
Base-Base interactions energy: -326.667
where: short stacking energy: -132.206
Base-Backbone interact. energy: -1.149
local terms energy: -140.143261
where:
bonds (distance) C4'-P energy: -29.491
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -31.454
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -481.300476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.300476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.740555 (E_RNA)
where:
Base-Base interactions energy: -346.503
where: short stacking energy: -137.538
Base-Backbone interact. energy: -1.124
local terms energy: -134.113372
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -38.049
Dist. restrs. and SS energy: 0.440 (S_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: 143
Temperature: 1.200000
Total energy: -459.219316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.219316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.524105 (E_RNA)
where:
Base-Base interactions energy: -328.006
where: short stacking energy: -133.962
Base-Backbone interact. energy: 0.484
local terms energy: -132.001903
where:
bonds (distance) C4'-P energy: -33.730
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -31.668
Dist. restrs. and SS energy: 0.305 (S_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: 143
Temperature: 1.250000
Total energy: -466.845711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.845711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.914492 (E_RNA)
where:
Base-Base interactions energy: -334.351
where: short stacking energy: -129.829
Base-Backbone interact. energy: -0.615
local terms energy: -131.949207
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.069 (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: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -446.142914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.142914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.210789 (E_RNA)
where:
Base-Base interactions energy: -333.242
where: short stacking energy: -124.954
Base-Backbone interact. energy: -0.291
local terms energy: -112.677219
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -27.856
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -29.527
Dist. restrs. and SS energy: 0.068 (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: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -418.552457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.552457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.961247 (E_RNA)
where:
Base-Base interactions energy: -305.906
where: short stacking energy: -114.737
Base-Backbone interact. energy: 0.586
local terms energy: -113.641090
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -26.376
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: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -543.498552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.498552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.567119 (E_RNA)
where:
Base-Base interactions energy: -386.916
where: short stacking energy: -157.455
Base-Backbone interact. energy: 1.938
local terms energy: -158.589768
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -43.736
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -526.467080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.467080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.741502 (E_RNA)
where:
Base-Base interactions energy: -371.886
where: short stacking energy: -153.499
Base-Backbone interact. energy: -0.578
local terms energy: -154.276697
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -30.625
flat angles C4'-P-C4' energy: -27.353
flat angles P-C4'-P energy: -27.182
tors. eta vs tors. theta energy: -37.785
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -518.272375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.272375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.384956 (E_RNA)
where:
Base-Base interactions energy: -363.610
where: short stacking energy: -145.101
Base-Backbone interact. energy: 0.021
local terms energy: -154.796647
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -36.096
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -40.290
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -496.291075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.291075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.330655 (E_RNA)
where:
Base-Base interactions energy: -363.859
where: short stacking energy: -145.318
Base-Backbone interact. energy: -0.541
local terms energy: -131.930972
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -34.313
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -500.050002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.050002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.103265 (E_RNA)
where:
Base-Base interactions energy: -361.108
where: short stacking energy: -149.796
Base-Backbone interact. energy: 0.222
local terms energy: -139.217224
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -30.200
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -476.981437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.981437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.046573 (E_RNA)
where:
Base-Base interactions energy: -336.506
where: short stacking energy: -147.134
Base-Backbone interact. energy: -0.037
local terms energy: -140.504075
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -36.997
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -471.003092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.003092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.091959 (E_RNA)
where:
Base-Base interactions energy: -331.213
where: short stacking energy: -124.354
Base-Backbone interact. energy: -0.448
local terms energy: -139.431500
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -30.320
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -35.459
Dist. restrs. and SS energy: 0.089 (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: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -468.947885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.947885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.451414 (E_RNA)
where:
Base-Base interactions energy: -326.282
where: short stacking energy: -121.731
Base-Backbone interact. energy: 0.318
local terms energy: -143.487406
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -27.702
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -34.052
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -441.358869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.358869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.924510 (E_RNA)
where:
Base-Base interactions energy: -322.455
where: short stacking energy: -128.294
Base-Backbone interact. energy: -0.375
local terms energy: -119.093739
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -437.045520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.045520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.460368 (E_RNA)
where:
Base-Base interactions energy: -312.327
where: short stacking energy: -117.205
Base-Backbone interact. energy: 0.798
local terms energy: -125.931191
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -33.272
Dist. restrs. and SS energy: 0.415 (S_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: 145
Temperature: 0.900000
Total energy: -527.532230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.532230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.606882 (E_RNA)
where:
Base-Base interactions energy: -371.411
where: short stacking energy: -152.609
Base-Backbone interact. energy: -2.166
local terms energy: -154.030009
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -39.617
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -525.345734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.345734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.487695 (E_RNA)
where:
Base-Base interactions energy: -369.094
where: short stacking energy: -151.012
Base-Backbone interact. energy: -0.622
local terms energy: -155.771811
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -31.243
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -40.341
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -511.452239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.452239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.701854 (E_RNA)
where:
Base-Base interactions energy: -362.643
where: short stacking energy: -144.479
Base-Backbone interact. energy: 1.016
local terms energy: -150.074556
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -37.341
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -500.138427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.138427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.482863 (E_RNA)
where:
Base-Base interactions energy: -357.085
where: short stacking energy: -144.511
Base-Backbone interact. energy: -0.451
local terms energy: -142.947408
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -37.763
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -500.957575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.957575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.133634 (E_RNA)
where:
Base-Base interactions energy: -369.237
where: short stacking energy: -142.640
Base-Backbone interact. energy: -0.602
local terms energy: -131.294602
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -495.614359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.614359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.661818 (E_RNA)
where:
Base-Base interactions energy: -360.324
where: short stacking energy: -150.532
Base-Backbone interact. energy: -0.293
local terms energy: -135.044831
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -28.138
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -43.943
Dist. restrs. and SS energy: 0.047 (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: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -453.855503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.855503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.097688 (E_RNA)
where:
Base-Base interactions energy: -328.176
where: short stacking energy: -128.154
Base-Backbone interact. energy: -1.240
local terms energy: -124.681515
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -31.198
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: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -439.405850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.405850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.841784 (E_RNA)
where:
Base-Base interactions energy: -309.426
where: short stacking energy: -113.906
Base-Backbone interact. energy: 1.336
local terms energy: -131.752126
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -32.216
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -434.189852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.189852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.357907 (E_RNA)
where:
Base-Base interactions energy: -309.217
where: short stacking energy: -116.580
Base-Backbone interact. energy: -0.503
local terms energy: -124.637860
where:
bonds (distance) C4'-P energy: -29.477
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -25.247
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -423.534337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.534337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.019892 (E_RNA)
where:
Base-Base interactions energy: -305.615
where: short stacking energy: -115.114
Base-Backbone interact. energy: -0.889
local terms energy: -117.515631
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -25.642
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.486 (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: 146
Temperature: 0.900000
Total energy: -532.489512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.489512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.543245 (E_RNA)
where:
Base-Base interactions energy: -380.186
where: short stacking energy: -152.088
Base-Backbone interact. energy: -0.591
local terms energy: -151.765845
where:
bonds (distance) C4'-P energy: -24.383
bonds (distance) P-C4' energy: -31.249
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -39.091
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -515.473315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.473315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.500432 (E_RNA)
where:
Base-Base interactions energy: -365.717
where: short stacking energy: -152.801
Base-Backbone interact. energy: -0.995
local terms energy: -148.788958
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -28.294
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -35.179
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -506.857061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.857061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.164529 (E_RNA)
where:
Base-Base interactions energy: -353.010
where: short stacking energy: -145.750
Base-Backbone interact. energy: -0.425
local terms energy: -153.730070
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -34.761
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -37.452
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -492.146788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.146788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.506093 (E_RNA)
where:
Base-Base interactions energy: -347.334
where: short stacking energy: -127.873
Base-Backbone interact. energy: -0.877
local terms energy: -144.295396
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -30.900
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -38.953
Dist. restrs. and SS energy: 0.359 (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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -478.701539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.701539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.737434 (E_RNA)
where:
Base-Base interactions energy: -336.973
where: short stacking energy: -136.698
Base-Backbone interact. energy: -0.560
local terms energy: -141.205264
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -27.295
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -24.878
tors. eta vs tors. theta energy: -35.266
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -475.348792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.348792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.621563 (E_RNA)
where:
Base-Base interactions energy: -342.735
where: short stacking energy: -141.015
Base-Backbone interact. energy: -0.764
local terms energy: -132.122724
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -37.173
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -447.446333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.446333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.969669 (E_RNA)
where:
Base-Base interactions energy: -331.576
where: short stacking energy: -132.010
Base-Backbone interact. energy: -0.755
local terms energy: -115.638079
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -30.774
Dist. restrs. and SS energy: 0.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -443.179038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.179038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.443946 (E_RNA)
where:
Base-Base interactions energy: -321.863
where: short stacking energy: -133.155
Base-Backbone interact. energy: 1.266
local terms energy: -122.847115
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -36.069
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -441.552101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.552101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.916717 (E_RNA)
where:
Base-Base interactions energy: -306.593
where: short stacking energy: -118.793
Base-Backbone interact. energy: -1.178
local terms energy: -134.146360
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -27.110
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -421.723983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.723983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.184507 (E_RNA)
where:
Base-Base interactions energy: -302.364
where: short stacking energy: -125.245
Base-Backbone interact. energy: -0.397
local terms energy: -119.424258
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -34.290
Dist. restrs. and SS energy: 0.461 (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: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -549.869521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.869521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.985845 (E_RNA)
where:
Base-Base interactions energy: -388.341
where: short stacking energy: -163.503
Base-Backbone interact. energy: -0.385
local terms energy: -161.259340
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -32.164
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -40.303
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -526.627704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.627704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.733897 (E_RNA)
where:
Base-Base interactions energy: -373.658
where: short stacking energy: -153.341
Base-Backbone interact. energy: 0.263
local terms energy: -153.339449
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -45.083
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -511.725814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.725814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.808434 (E_RNA)
where:
Base-Base interactions energy: -356.405
where: short stacking energy: -147.136
Base-Backbone interact. energy: -1.009
local terms energy: -154.393846
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.083 (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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -483.466878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.466878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.640668 (E_RNA)
where:
Base-Base interactions energy: -336.833
where: short stacking energy: -133.364
Base-Backbone interact. energy: -0.676
local terms energy: -146.131179
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -35.171
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -478.732390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.732390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.928064 (E_RNA)
where:
Base-Base interactions energy: -330.306
where: short stacking energy: -131.715
Base-Backbone interact. energy: -1.302
local terms energy: -147.320085
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -36.738
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -472.300586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.300586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.491460 (E_RNA)
where:
Base-Base interactions energy: -335.713
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.498
local terms energy: -136.279551
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -32.029
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -461.426038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.426038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.863100 (E_RNA)
where:
Base-Base interactions energy: -329.031
where: short stacking energy: -125.136
Base-Backbone interact. energy: -0.304
local terms energy: -132.528524
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -455.299650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.299650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.543935 (E_RNA)
where:
Base-Base interactions energy: -325.737
where: short stacking energy: -136.307
Base-Backbone interact. energy: -0.321
local terms energy: -129.486106
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -34.199
Dist. restrs. and SS energy: 0.244 (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: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -420.091697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.091697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.202166 (E_RNA)
where:
Base-Base interactions energy: -300.930
where: short stacking energy: -111.001
Base-Backbone interact. energy: -0.794
local terms energy: -118.477827
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -25.957
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.110 (S_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: 147
Temperature: 1.350000
Total energy: -430.747888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.747888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.490479 (E_RNA)
where:
Base-Base interactions energy: -312.179
where: short stacking energy: -115.588
Base-Backbone interact. energy: 1.347
local terms energy: -120.658682
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -535.169402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.169402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.370586 (E_RNA)
where:
Base-Base interactions energy: -369.640
where: short stacking energy: -151.732
Base-Backbone interact. energy: 1.096
local terms energy: -166.827305
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -40.636
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -514.622092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.622092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.958566 (E_RNA)
where:
Base-Base interactions energy: -356.177
where: short stacking energy: -149.371
Base-Backbone interact. energy: -0.411
local terms energy: -158.370500
where:
bonds (distance) C4'-P energy: -28.703
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -38.658
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -519.099675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.099675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.469749 (E_RNA)
where:
Base-Base interactions energy: -368.587
where: short stacking energy: -151.408
Base-Backbone interact. energy: -0.322
local terms energy: -150.561260
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -36.814
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -37.902
Dist. restrs. and SS energy: 0.370 (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: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -492.493875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.493875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.769309 (E_RNA)
where:
Base-Base interactions energy: -357.387
where: short stacking energy: -149.203
Base-Backbone interact. energy: 2.780
local terms energy: -138.162069
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -26.171
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -36.004
Dist. restrs. and SS energy: 0.275 (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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -495.764115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.764115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.958112 (E_RNA)
where:
Base-Base interactions energy: -346.275
where: short stacking energy: -134.912
Base-Backbone interact. energy: -0.620
local terms energy: -149.062407
where:
bonds (distance) C4'-P energy: -28.831
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -483.069105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.069105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.408683 (E_RNA)
where:
Base-Base interactions energy: -349.089
where: short stacking energy: -140.480
Base-Backbone interact. energy: -1.251
local terms energy: -133.068363
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -38.165
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -467.581335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.581335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.190269 (E_RNA)
where:
Base-Base interactions energy: -326.308
where: short stacking energy: -123.081
Base-Backbone interact. energy: -0.489
local terms energy: -141.393650
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -28.401
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -31.999
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: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -445.641815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.641815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.989380 (E_RNA)
where:
Base-Base interactions energy: -316.373
where: short stacking energy: -117.466
Base-Backbone interact. energy: -0.662
local terms energy: -128.954633
where:
bonds (distance) C4'-P energy: -31.370
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.348 (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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -444.866811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.866811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.364001 (E_RNA)
where:
Base-Base interactions energy: -324.954
where: short stacking energy: -131.454
Base-Backbone interact. energy: -1.222
local terms energy: -119.188769
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -26.507
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -32.594
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: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -442.290217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.290217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.534260 (E_RNA)
where:
Base-Base interactions energy: -313.807
where: short stacking energy: -116.512
Base-Backbone interact. energy: -1.293
local terms energy: -127.433703
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.244 (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: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -531.530887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.530887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.779681 (E_RNA)
where:
Base-Base interactions energy: -375.453
where: short stacking energy: -161.910
Base-Backbone interact. energy: -0.218
local terms energy: -156.108567
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.249 (S_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: 149
Temperature: 0.950000
Total energy: -520.526573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.526573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.753181 (E_RNA)
where:
Base-Base interactions energy: -362.587
where: short stacking energy: -151.872
Base-Backbone interact. energy: -0.835
local terms energy: -157.330739
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -29.699
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -41.055
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -516.083785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.083785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.216722 (E_RNA)
where:
Base-Base interactions energy: -363.450
where: short stacking energy: -152.281
Base-Backbone interact. energy: -0.616
local terms energy: -152.150786
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -41.843
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -501.912402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.912402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.534317 (E_RNA)
where:
Base-Base interactions energy: -355.151
where: short stacking energy: -140.577
Base-Backbone interact. energy: 1.104
local terms energy: -148.487212
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -33.663
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -34.818
Dist. restrs. and SS energy: 0.622 (S_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: 149
Temperature: 1.100000
Total energy: -490.186702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.186702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.444537 (E_RNA)
where:
Base-Base interactions energy: -360.139
where: short stacking energy: -144.370
Base-Backbone interact. energy: -0.052
local terms energy: -130.253064
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.258 (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: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -474.633104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.633104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.903283 (E_RNA)
where:
Base-Base interactions energy: -337.065
where: short stacking energy: -130.162
Base-Backbone interact. energy: 0.895
local terms energy: -138.733516
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -29.875
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 0.270 (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: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -487.543363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.543363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.696425 (E_RNA)
where:
Base-Base interactions energy: -347.006
where: short stacking energy: -140.416
Base-Backbone interact. energy: -0.381
local terms energy: -140.309820
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -37.266
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -472.319901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.319901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.942180 (E_RNA)
where:
Base-Base interactions energy: -331.723
where: short stacking energy: -133.377
Base-Backbone interact. energy: -1.287
local terms energy: -139.932088
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -20.735
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.622 (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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -448.689631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.689631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.893756 (E_RNA)
where:
Base-Base interactions energy: -323.517
where: short stacking energy: -132.941
Base-Backbone interact. energy: -1.309
local terms energy: -124.068188
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -23.274
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -35.187
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -415.742901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.742901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.433850 (E_RNA)
where:
Base-Base interactions energy: -303.001
where: short stacking energy: -112.577
Base-Backbone interact. energy: -0.607
local terms energy: -112.826029
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -27.084
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: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -514.803301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.803301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.137574 (E_RNA)
where:
Base-Base interactions energy: -373.088
where: short stacking energy: -141.244
Base-Backbone interact. energy: -0.630
local terms energy: -141.419442
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -29.616
flat angles C4'-P-C4' energy: -28.544
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -38.851
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -523.614503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.614503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.677156 (E_RNA)
where:
Base-Base interactions energy: -373.948
where: short stacking energy: -148.932
Base-Backbone interact. energy: -0.416
local terms energy: -149.312438
where:
bonds (distance) C4'-P energy: -27.184
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -36.352
Dist. restrs. and SS energy: 0.063 (S_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: 150
Temperature: 1.000000
Total energy: -498.198019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.198019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.663916 (E_RNA)
where:
Base-Base interactions energy: -351.555
where: short stacking energy: -134.159
Base-Backbone interact. energy: -1.000
local terms energy: -146.108745
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -26.122
tors. eta vs tors. theta energy: -30.369
Dist. restrs. and SS energy: 0.466 (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: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -492.832608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.832608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.040581 (E_RNA)
where:
Base-Base interactions energy: -350.734
where: short stacking energy: -138.266
Base-Backbone interact. energy: -1.031
local terms energy: -141.275628
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.208 (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: 150
Temperature: 1.100000
Total energy: -490.788708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.788708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.208812 (E_RNA)
where:
Base-Base interactions energy: -360.449
where: short stacking energy: -137.479
Base-Backbone interact. energy: 0.331
local terms energy: -131.091531
where:
bonds (distance) C4'-P energy: -30.934
bonds (distance) P-C4' energy: -28.873
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -488.444972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.444972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.726745 (E_RNA)
where:
Base-Base interactions energy: -350.188
where: short stacking energy: -136.524
Base-Backbone interact. energy: -0.455
local terms energy: -138.083226
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -35.947
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -478.663736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.663736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.722361 (E_RNA)
where:
Base-Base interactions energy: -330.974
where: short stacking energy: -131.704
Base-Backbone interact. energy: -5.579
local terms energy: -142.169629
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -40.204
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -455.443560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.443560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.079190 (E_RNA)
where:
Base-Base interactions energy: -312.467
where: short stacking energy: -124.083
Base-Backbone interact. energy: -0.566
local terms energy: -143.046183
where:
bonds (distance) C4'-P energy: -25.090
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -37.510
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: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -463.405196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.405196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.528416 (E_RNA)
where:
Base-Base interactions energy: -337.613
where: short stacking energy: -136.281
Base-Backbone interact. energy: -0.636
local terms energy: -125.280200
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: -29.948
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -406.192335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.192335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.546669 (E_RNA)
where:
Base-Base interactions energy: -292.770
where: short stacking energy: -109.763
Base-Backbone interact. energy: 0.523
local terms energy: -114.300169
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -28.015
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -532.061400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.061400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.178642 (E_RNA)
where:
Base-Base interactions energy: -379.372
where: short stacking energy: -164.835
Base-Backbone interact. energy: -0.352
local terms energy: -152.454849
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -21.571
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.117 (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: 151
Temperature: 0.950000
Total energy: -523.558606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.558606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.787882 (E_RNA)
where:
Base-Base interactions energy: -372.619
where: short stacking energy: -154.164
Base-Backbone interact. energy: -0.746
local terms energy: -150.422028
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -26.788
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -41.823
Dist. restrs. and SS energy: 0.229 (S_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: 151
Temperature: 1.000000
Total energy: -498.243944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.243944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.398530 (E_RNA)
where:
Base-Base interactions energy: -347.122
where: short stacking energy: -146.798
Base-Backbone interact. energy: -1.151
local terms energy: -150.126140
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -496.962737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.962737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.128123 (E_RNA)
where:
Base-Base interactions energy: -351.852
where: short stacking energy: -138.594
Base-Backbone interact. energy: -0.384
local terms energy: -144.891584
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -34.118
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -36.756
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -482.847986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.847986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.960374 (E_RNA)
where:
Base-Base interactions energy: -346.773
where: short stacking energy: -133.022
Base-Backbone interact. energy: 0.121
local terms energy: -136.308531
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -34.518
Dist. restrs. and SS energy: 0.112 (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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -469.432959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.432959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.672919 (E_RNA)
where:
Base-Base interactions energy: -326.334
where: short stacking energy: -130.170
Base-Backbone interact. energy: 0.410
local terms energy: -143.748858
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -32.565
Dist. restrs. and SS energy: 0.240 (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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -475.312712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.312712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.722590 (E_RNA)
where:
Base-Base interactions energy: -359.864
where: short stacking energy: -142.105
Base-Backbone interact. energy: 2.532
local terms energy: -118.391147
where:
bonds (distance) C4'-P energy: -24.953
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -16.518
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.410 (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: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -472.460481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.460481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.723586 (E_RNA)
where:
Base-Base interactions energy: -339.563
where: short stacking energy: -132.376
Base-Backbone interact. energy: -0.568
local terms energy: -132.592952
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -20.055
tors. eta vs tors. theta energy: -35.978
Dist. restrs. and SS energy: 0.263 (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: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -453.340559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.340559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.839614 (E_RNA)
where:
Base-Base interactions energy: -321.330
where: short stacking energy: -127.638
Base-Backbone interact. energy: -0.780
local terms energy: -131.729162
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -32.857
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -415.903917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.903917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.308501 (E_RNA)
where:
Base-Base interactions energy: -302.232
where: short stacking energy: -111.083
Base-Backbone interact. energy: -0.534
local terms energy: -113.542934
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -527.638346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.638346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.658879 (E_RNA)
where:
Base-Base interactions energy: -370.418
where: short stacking energy: -146.079
Base-Backbone interact. energy: -0.472
local terms energy: -156.768364
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -42.339
Dist. restrs. and SS energy: 0.021 (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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -519.530724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.642072 (E_RNA)
where:
Base-Base interactions energy: -364.584
where: short stacking energy: -157.828
Base-Backbone interact. energy: -0.649
local terms energy: -154.408997
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -44.111
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -506.599374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.599374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.756954 (E_RNA)
where:
Base-Base interactions energy: -350.364
where: short stacking energy: -146.802
Base-Backbone interact. energy: -2.017
local terms energy: -154.375761
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -37.745
Dist. restrs. and SS energy: 0.158 (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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -489.788988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.788988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.065325 (E_RNA)
where:
Base-Base interactions energy: -341.859
where: short stacking energy: -132.674
Base-Backbone interact. energy: -0.873
local terms energy: -147.333706
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -32.095
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. 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: -474.849290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.849290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.009440 (E_RNA)
where:
Base-Base interactions energy: -335.773
where: short stacking energy: -129.100
Base-Backbone interact. energy: -0.227
local terms energy: -139.008984
where:
bonds (distance) C4'-P energy: -31.441
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -28.400
Dist. restrs. and SS energy: 0.160 (S_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: 152
Temperature: 1.150000
Total energy: -477.178397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.178397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.399477 (E_RNA)
where:
Base-Base interactions energy: -341.558
where: short stacking energy: -141.411
Base-Backbone interact. energy: -0.449
local terms energy: -135.392760
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -39.216
Dist. restrs. and SS energy: 0.221 (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: 152
Temperature: 1.200000
Total energy: -454.071323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.071323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.297851 (E_RNA)
where:
Base-Base interactions energy: -326.110
where: short stacking energy: -131.510
Base-Backbone interact. energy: -0.122
local terms energy: -128.066438
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -30.704
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -460.404081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.404081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.596884 (E_RNA)
where:
Base-Base interactions energy: -337.763
where: short stacking energy: -135.538
Base-Backbone interact. energy: 2.292
local terms energy: -125.126286
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -30.714
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -34.745
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -453.439715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.439715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.197863 (E_RNA)
where:
Base-Base interactions energy: -319.978
where: short stacking energy: -119.058
Base-Backbone interact. energy: -0.114
local terms energy: -134.105644
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -28.892
flat angles C4'-P-C4' energy: -33.391
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -29.069
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -402.049505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.049505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.401641 (E_RNA)
where:
Base-Base interactions energy: -284.062
where: short stacking energy: -109.505
Base-Backbone interact. energy: 2.089
local terms energy: -120.429387
where:
bonds (distance) C4'-P energy: -26.115
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -30.786
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -535.895701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.895701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.205085 (E_RNA)
where:
Base-Base interactions energy: -370.356
where: short stacking energy: -158.522
Base-Backbone interact. energy: -0.306
local terms energy: -165.543658
where:
bonds (distance) C4'-P energy: -35.187
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -532.736915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.736915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.024692 (E_RNA)
where:
Base-Base interactions energy: -360.961
where: short stacking energy: -152.182
Base-Backbone interact. energy: -0.440
local terms energy: -171.623709
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -33.606
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -25.788
tors. eta vs tors. theta energy: -43.168
Dist. restrs. and SS energy: 0.288 (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: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -507.847411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.847411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.168235 (E_RNA)
where:
Base-Base interactions energy: -354.420
where: short stacking energy: -141.497
Base-Backbone interact. energy: -1.891
local terms energy: -151.857892
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -43.337
Dist. restrs. and SS energy: 0.321 (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: 153
Temperature: 1.050000
Total energy: -500.416845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.416845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.459393 (E_RNA)
where:
Base-Base interactions energy: -365.622
where: short stacking energy: -135.453
Base-Backbone interact. energy: -0.630
local terms energy: -134.207120
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -25.845
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -32.337
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -484.343499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.343499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.403418 (E_RNA)
where:
Base-Base interactions energy: -341.469
where: short stacking energy: -143.465
Base-Backbone interact. energy: -0.404
local terms energy: -142.530299
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -37.249
Dist. restrs. and SS energy: 0.060 (S_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: 153
Temperature: 1.150000
Total energy: -487.903601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.903601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.006245 (E_RNA)
where:
Base-Base interactions energy: -357.272
where: short stacking energy: -137.204
Base-Backbone interact. energy: 2.202
local terms energy: -132.936158
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -30.806
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -37.588
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -469.895249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.895249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.109354 (E_RNA)
where:
Base-Base interactions energy: -341.401
where: short stacking energy: -118.938
Base-Backbone interact. energy: -2.246
local terms energy: -126.461998
where:
bonds (distance) C4'-P energy: -28.211
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -30.707
Dist. restrs. and SS energy: 0.214 (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: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -447.998051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.998051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.911393 (E_RNA)
where:
Base-Base interactions energy: -310.463
where: short stacking energy: -118.296
Base-Backbone interact. energy: -1.576
local terms energy: -136.872554
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -32.808
Dist. restrs. and SS energy: 0.913 (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: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -436.550824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.550824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.024299 (E_RNA)
where:
Base-Base interactions energy: -318.822
where: short stacking energy: -114.977
Base-Backbone interact. energy: -0.295
local terms energy: -117.907186
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.473 (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: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -415.293081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.293081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.479159 (E_RNA)
where:
Base-Base interactions energy: -297.875
where: short stacking energy: -116.166
Base-Backbone interact. energy: -0.489
local terms energy: -117.115908
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -31.072
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.186 (S_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: 154
Temperature: 0.900000
Total energy: -541.997244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.997244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.185080 (E_RNA)
where:
Base-Base interactions energy: -376.737
where: short stacking energy: -158.401
Base-Backbone interact. energy: 0.214
local terms energy: -165.662152
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -528.659219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.659219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.767704 (E_RNA)
where:
Base-Base interactions energy: -364.668
where: short stacking energy: -150.738
Base-Backbone interact. energy: -0.342
local terms energy: -163.757920
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -497.276106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.276106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.345795 (E_RNA)
where:
Base-Base interactions energy: -350.597
where: short stacking energy: -139.376
Base-Backbone interact. energy: 0.541
local terms energy: -147.289289
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -36.340
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -488.257172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.257172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.578068 (E_RNA)
where:
Base-Base interactions energy: -339.375
where: short stacking energy: -132.192
Base-Backbone interact. energy: -0.875
local terms energy: -148.328037
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -32.876
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -499.603096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.603096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.193209 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -142.801
Base-Backbone interact. energy: -0.526
local terms energy: -149.407346
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: -40.011
Dist. restrs. and SS energy: 0.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -477.386182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.386182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.517777 (E_RNA)
where:
Base-Base interactions energy: -341.257
where: short stacking energy: -135.480
Base-Backbone interact. energy: 0.492
local terms energy: -136.752713
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -37.089
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -467.863013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.863013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.095084 (E_RNA)
where:
Base-Base interactions energy: -338.222
where: short stacking energy: -132.368
Base-Backbone interact. energy: -0.501
local terms energy: -129.372014
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -35.113
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -459.100473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.100473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.608159 (E_RNA)
where:
Base-Base interactions energy: -327.541
where: short stacking energy: -134.892
Base-Backbone interact. energy: -1.032
local terms energy: -131.035373
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -32.738
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -438.865321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.865321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.137865 (E_RNA)
where:
Base-Base interactions energy: -306.432
where: short stacking energy: -109.372
Base-Backbone interact. energy: 1.392
local terms energy: -134.098674
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -35.480
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -410.929546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.929546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.117952 (E_RNA)
where:
Base-Base interactions energy: -291.444
where: short stacking energy: -114.901
Base-Backbone interact. energy: 0.728
local terms energy: -120.401793
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -29.388
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -22.034
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -534.924117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.924117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.507868 (E_RNA)
where:
Base-Base interactions energy: -373.405
where: short stacking energy: -150.582
Base-Backbone interact. energy: -3.412
local terms energy: -158.690872
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.584 (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: 155
Temperature: 0.950000
Total energy: -521.748789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.748789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.961790 (E_RNA)
where:
Base-Base interactions energy: -363.645
where: short stacking energy: -146.870
Base-Backbone interact. energy: -0.579
local terms energy: -157.737489
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -35.622
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -42.523
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -520.888962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.888962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.934497 (E_RNA)
where:
Base-Base interactions energy: -367.805
where: short stacking energy: -154.009
Base-Backbone interact. energy: -0.385
local terms energy: -152.743680
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -34.156
flat angles P-C4'-P energy: -20.221
tors. eta vs tors. theta energy: -39.067
Dist. restrs. and SS energy: 0.046 (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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -491.627256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.627256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.808939 (E_RNA)
where:
Base-Base interactions energy: -352.197
where: short stacking energy: -143.275
Base-Backbone interact. energy: -0.693
local terms energy: -138.918955
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -37.068
Dist. restrs. and SS energy: 0.182 (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: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -467.269932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.302865 (E_RNA)
where:
Base-Base interactions energy: -342.406
where: short stacking energy: -123.156
Base-Backbone interact. energy: 1.076
local terms energy: -125.972557
where:
bonds (distance) C4'-P energy: -25.326
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -29.032
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -472.652515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.652515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.001413 (E_RNA)
where:
Base-Base interactions energy: -341.332
where: short stacking energy: -130.011
Base-Backbone interact. energy: -0.393
local terms energy: -131.276684
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -29.576
Dist. restrs. and SS energy: 0.349 (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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -468.948524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.948524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.212758 (E_RNA)
where:
Base-Base interactions energy: -349.835
where: short stacking energy: -136.648
Base-Backbone interact. energy: -0.282
local terms energy: -119.096091
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -16.302
tors. eta vs tors. theta energy: -29.478
Dist. restrs. and SS energy: 0.264 (S_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: 155
Temperature: 1.250000
Total energy: -452.278533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.278533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.523837 (E_RNA)
where:
Base-Base interactions energy: -316.900
where: short stacking energy: -110.482
Base-Backbone interact. energy: -0.390
local terms energy: -135.233928
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -25.608
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -30.974
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -454.295782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.295782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.005545 (E_RNA)
where:
Base-Base interactions energy: -317.821
where: short stacking energy: -128.063
Base-Backbone interact. energy: -1.295
local terms energy: -135.889456
where:
bonds (distance) C4'-P energy: -27.136
bonds (distance) P-C4' energy: -26.191
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -28.899
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -412.787030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.787030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.403652 (E_RNA)
where:
Base-Base interactions energy: -290.204
where: short stacking energy: -115.946
Base-Backbone interact. energy: -0.006
local terms energy: -123.194282
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -23.502
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -529.473440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.473440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.974873 (E_RNA)
where:
Base-Base interactions energy: -376.378
where: short stacking energy: -153.025
Base-Backbone interact. energy: -0.828
local terms energy: -152.768580
where:
bonds (distance) C4'-P energy: -26.804
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -42.319
Dist. restrs. and SS energy: 0.501 (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: 156
Temperature: 0.950000
Total energy: -524.874930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.874930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.049736 (E_RNA)
where:
Base-Base interactions energy: -368.275
where: short stacking energy: -154.152
Base-Backbone interact. energy: -0.755
local terms energy: -156.020225
where:
bonds (distance) C4'-P energy: -21.890
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -43.293
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -496.638417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.638417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.801801 (E_RNA)
where:
Base-Base interactions energy: -352.010
where: short stacking energy: -141.614
Base-Backbone interact. energy: -1.059
local terms energy: -143.732648
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -36.598
Dist. restrs. and SS energy: 0.163 (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: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -520.379283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.379283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.422666 (E_RNA)
where:
Base-Base interactions energy: -370.453
where: short stacking energy: -155.746
Base-Backbone interact. energy: -0.414
local terms energy: -149.556176
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -37.491
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -494.617550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.617550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.718559 (E_RNA)
where:
Base-Base interactions energy: -343.920
where: short stacking energy: -127.524
Base-Backbone interact. energy: -0.429
local terms energy: -150.369056
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -31.386
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -32.171
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -483.237759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.237759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.797460 (E_RNA)
where:
Base-Base interactions energy: -345.303
where: short stacking energy: -139.375
Base-Backbone interact. energy: -0.173
local terms energy: -138.321719
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.560 (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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -459.446881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.446881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.807917 (E_RNA)
where:
Base-Base interactions energy: -322.660
where: short stacking energy: -127.916
Base-Backbone interact. energy: 0.489
local terms energy: -137.636941
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -31.712
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -456.083186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.083186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.287494 (E_RNA)
where:
Base-Base interactions energy: -330.521
where: short stacking energy: -130.817
Base-Backbone interact. energy: 4.164
local terms energy: -130.929748
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: -35.479
Dist. restrs. and SS energy: 1.204 (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: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -438.035317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.035317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.639582 (E_RNA)
where:
Base-Base interactions energy: -323.610
where: short stacking energy: -128.009
Base-Backbone interact. energy: -0.691
local terms energy: -114.338505
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -33.912
Dist. restrs. and SS energy: 0.604 (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: 156
Temperature: 1.350000
Total energy: -428.028689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.028689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.330589 (E_RNA)
where:
Base-Base interactions energy: -313.064
where: short stacking energy: -126.796
Base-Backbone interact. energy: 0.741
local terms energy: -116.007530
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -33.426
Dist. restrs. and SS energy: 0.302 (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: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -538.574509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.574509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.641383 (E_RNA)
where:
Base-Base interactions energy: -374.220
where: short stacking energy: -146.797
Base-Backbone interact. energy: -0.104
local terms energy: -164.317129
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -43.163
Dist. restrs. and SS energy: 0.067 (S_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: 157
Temperature: 0.950000
Total energy: -530.832592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.832592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.965693 (E_RNA)
where:
Base-Base interactions energy: -371.723
where: short stacking energy: -146.833
Base-Backbone interact. energy: 2.632
local terms energy: -161.875374
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -30.749
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: -43.580
Dist. restrs. and SS energy: 0.133 (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: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -496.905066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.905066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.040753 (E_RNA)
where:
Base-Base interactions energy: -360.814
where: short stacking energy: -145.591
Base-Backbone interact. energy: -0.288
local terms energy: -135.938265
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -36.055
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -518.785247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.785247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.947698 (E_RNA)
where:
Base-Base interactions energy: -360.048
where: short stacking energy: -147.637
Base-Backbone interact. energy: -0.201
local terms energy: -158.699126
where:
bonds (distance) C4'-P energy: -27.988
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -22.985
tors. eta vs tors. theta energy: -41.486
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -490.123547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.123547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.475042 (E_RNA)
where:
Base-Base interactions energy: -349.554
where: short stacking energy: -141.722
Base-Backbone interact. energy: -0.769
local terms energy: -140.151687
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -39.611
Dist. restrs. and SS energy: 0.351 (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: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -472.304383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.304383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.393767 (E_RNA)
where:
Base-Base interactions energy: -341.129
where: short stacking energy: -141.403
Base-Backbone interact. energy: 0.290
local terms energy: -131.554816
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -472.027476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.027476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.208432 (E_RNA)
where:
Base-Base interactions energy: -339.841
where: short stacking energy: -136.627
Base-Backbone interact. energy: -0.533
local terms energy: -131.834325
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -28.451
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -32.339
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -438.227472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.227472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.960420 (E_RNA)
where:
Base-Base interactions energy: -317.692
where: short stacking energy: -124.797
Base-Backbone interact. energy: -0.316
local terms energy: -120.952211
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -34.183
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -445.139477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.139477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.274472 (E_RNA)
where:
Base-Base interactions energy: -315.287
where: short stacking energy: -118.818
Base-Backbone interact. energy: 0.717
local terms energy: -130.703856
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -27.901
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -409.712126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.712126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.922613 (E_RNA)
where:
Base-Base interactions energy: -293.396
where: short stacking energy: -106.595
Base-Backbone interact. energy: -0.903
local terms energy: -115.623365
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.210 (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: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -543.434068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.434068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.492537 (E_RNA)
where:
Base-Base interactions energy: -388.196
where: short stacking energy: -159.794
Base-Backbone interact. energy: -1.041
local terms energy: -154.255633
where:
bonds (distance) C4'-P energy: -28.778
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -38.216
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -525.416276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.416276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.523346 (E_RNA)
where:
Base-Base interactions energy: -376.578
where: short stacking energy: -150.227
Base-Backbone interact. energy: -0.967
local terms energy: -147.978385
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -40.658
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -529.259682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.259682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.386905 (E_RNA)
where:
Base-Base interactions energy: -367.254
where: short stacking energy: -142.606
Base-Backbone interact. energy: -0.182
local terms energy: -161.950825
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -41.029
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -490.433965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.433965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.802385 (E_RNA)
where:
Base-Base interactions energy: -342.132
where: short stacking energy: -133.612
Base-Backbone interact. energy: -0.047
local terms energy: -148.622676
where:
bonds (distance) C4'-P energy: -24.039
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -25.868
tors. eta vs tors. theta energy: -37.901
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: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -479.685485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.685485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.704377 (E_RNA)
where:
Base-Base interactions energy: -340.927
where: short stacking energy: -136.793
Base-Backbone interact. energy: -0.332
local terms energy: -138.445709
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -34.416
Dist. restrs. and SS energy: 0.019 (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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -474.210907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.210907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.441004 (E_RNA)
where:
Base-Base interactions energy: -331.195
where: short stacking energy: -132.800
Base-Backbone interact. energy: 0.654
local terms energy: -143.900735
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -457.658461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.658461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.058707 (E_RNA)
where:
Base-Base interactions energy: -323.525
where: short stacking energy: -127.096
Base-Backbone interact. energy: 1.031
local terms energy: -135.563823
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -473.966622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.966622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.575372 (E_RNA)
where:
Base-Base interactions energy: -336.328
where: short stacking energy: -135.119
Base-Backbone interact. energy: 0.368
local terms energy: -138.614865
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -36.737
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: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -437.917404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.917404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.852287 (E_RNA)
where:
Base-Base interactions energy: -324.831
where: short stacking energy: -119.006
Base-Backbone interact. energy: -0.141
local terms energy: -113.880569
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -30.010
Dist. restrs. and SS energy: 0.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -415.935464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.446031 (E_RNA)
where:
Base-Base interactions energy: -290.962
where: short stacking energy: -123.558
Base-Backbone interact. energy: 0.074
local terms energy: -125.557605
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -25.807
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -35.113
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -535.852910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.852910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.885099 (E_RNA)
where:
Base-Base interactions energy: -388.143
where: short stacking energy: -164.651
Base-Backbone interact. energy: -0.456
local terms energy: -148.286393
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -42.567
Dist. restrs. and SS energy: 1.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -529.714323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.714323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.841160 (E_RNA)
where:
Base-Base interactions energy: -373.024
where: short stacking energy: -152.941
Base-Backbone interact. energy: -0.412
local terms energy: -156.405384
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -35.565
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -37.098
Dist. restrs. and SS energy: 0.127 (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: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -506.882171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.882171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.101339 (E_RNA)
where:
Base-Base interactions energy: -356.940
where: short stacking energy: -128.968
Base-Backbone interact. energy: -0.516
local terms energy: -149.645396
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -35.233
Dist. restrs. and SS energy: 0.219 (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: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -523.338596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.338596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.408594 (E_RNA)
where:
Base-Base interactions energy: -368.766
where: short stacking energy: -153.769
Base-Backbone interact. energy: -1.230
local terms energy: -153.413167
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -40.171
Dist. restrs. and SS energy: 0.070 (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: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -476.297779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.297779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.587199 (E_RNA)
where:
Base-Base interactions energy: -334.166
where: short stacking energy: -131.090
Base-Backbone interact. energy: -0.390
local terms energy: -142.030856
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -33.501
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -487.772783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.772783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.903129 (E_RNA)
where:
Base-Base interactions energy: -348.189
where: short stacking energy: -138.179
Base-Backbone interact. energy: -0.509
local terms energy: -139.205822
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -25.838
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -37.042
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -445.806164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.806164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.983060 (E_RNA)
where:
Base-Base interactions energy: -320.674
where: short stacking energy: -126.080
Base-Backbone interact. energy: 2.610
local terms energy: -127.919244
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.177 (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: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -464.311056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.311056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.544966 (E_RNA)
where:
Base-Base interactions energy: -337.343
where: short stacking energy: -135.120
Base-Backbone interact. energy: -0.274
local terms energy: -126.927765
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -24.100
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -29.339
Dist. restrs. and SS energy: 0.234 (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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -450.401216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.401216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.710114 (E_RNA)
where:
Base-Base interactions energy: -324.121
where: short stacking energy: -116.278
Base-Backbone interact. energy: 1.629
local terms energy: -128.217713
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -26.537
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.309 (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: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -406.770655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.770655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.049123 (E_RNA)
where:
Base-Base interactions energy: -291.539
where: short stacking energy: -109.301
Base-Backbone interact. energy: 1.126
local terms energy: -116.635771
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -540.370954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.370954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.396442 (E_RNA)
where:
Base-Base interactions energy: -380.262
where: short stacking energy: -148.214
Base-Backbone interact. energy: -0.408
local terms energy: -159.726018
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -522.534363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.534363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.868786 (E_RNA)
where:
Base-Base interactions energy: -365.492
where: short stacking energy: -152.319
Base-Backbone interact. energy: 0.319
local terms energy: -157.696031
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -42.126
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -510.012980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.012980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.209774 (E_RNA)
where:
Base-Base interactions energy: -362.539
where: short stacking energy: -150.833
Base-Backbone interact. energy: -0.547
local terms energy: -147.123337
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -44.669
Dist. restrs. and SS energy: 0.197 (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: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -502.234959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.234959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.606313 (E_RNA)
where:
Base-Base interactions energy: -359.454
where: short stacking energy: -135.951
Base-Backbone interact. energy: 0.367
local terms energy: -143.519287
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -35.874
Dist. restrs. and SS energy: 0.371 (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: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -460.830166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.830166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.044188 (E_RNA)
where:
Base-Base interactions energy: -328.101
where: short stacking energy: -121.687
Base-Backbone interact. energy: -1.009
local terms energy: -131.933889
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -465.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.583422 (E_RNA)
where:
Base-Base interactions energy: -331.104
where: short stacking energy: -130.889
Base-Backbone interact. energy: -0.295
local terms energy: -135.184465
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -36.133
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -458.183449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.183449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.805941 (E_RNA)
where:
Base-Base interactions energy: -325.798
where: short stacking energy: -123.514
Base-Backbone interact. energy: -0.986
local terms energy: -132.022629
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -34.682
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -456.057657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.057657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.586767 (E_RNA)
where:
Base-Base interactions energy: -323.902
where: short stacking energy: -122.080
Base-Backbone interact. energy: -1.319
local terms energy: -131.365891
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -30.643
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: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -428.920793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.920793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.090226 (E_RNA)
where:
Base-Base interactions energy: -306.567
where: short stacking energy: -115.075
Base-Backbone interact. energy: -0.109
local terms energy: -122.414530
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -407.899235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.899235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.051681 (E_RNA)
where:
Base-Base interactions energy: -296.461
where: short stacking energy: -109.338
Base-Backbone interact. energy: -0.819
local terms energy: -110.772051
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.152 (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: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -540.419430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.419430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.682443 (E_RNA)
where:
Base-Base interactions energy: -370.551
where: short stacking energy: -151.231
Base-Backbone interact. energy: 0.476
local terms energy: -170.607240
where:
bonds (distance) C4'-P energy: -33.809
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -43.136
Dist. restrs. and SS energy: 0.263 (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: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -519.572884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.572884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.716692 (E_RNA)
where:
Base-Base interactions energy: -363.448
where: short stacking energy: -148.397
Base-Backbone interact. energy: -1.278
local terms energy: -154.990935
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -33.301
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -39.967
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -519.610843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.610843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.278411 (E_RNA)
where:
Base-Base interactions energy: -365.775
where: short stacking energy: -150.726
Base-Backbone interact. energy: -0.581
local terms energy: -153.922660
where:
bonds (distance) C4'-P energy: -31.147
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -500.747141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.747141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.282554 (E_RNA)
where:
Base-Base interactions energy: -352.007
where: short stacking energy: -139.670
Base-Backbone interact. energy: -0.604
local terms energy: -148.671439
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -490.190852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.190852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.523749 (E_RNA)
where:
Base-Base interactions energy: -353.911
where: short stacking energy: -136.131
Base-Backbone interact. energy: -0.447
local terms energy: -136.165270
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -35.595
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -472.634889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.634889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.824530 (E_RNA)
where:
Base-Base interactions energy: -333.383
where: short stacking energy: -134.280
Base-Backbone interact. energy: -0.837
local terms energy: -138.604242
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -38.779
Dist. restrs. and SS energy: 0.190 (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: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -464.233940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.233940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.412489 (E_RNA)
where:
Base-Base interactions energy: -340.579
where: short stacking energy: -139.916
Base-Backbone interact. energy: -0.320
local terms energy: -123.513597
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -39.992
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -454.824720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.824720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.088488 (E_RNA)
where:
Base-Base interactions energy: -327.208
where: short stacking energy: -134.243
Base-Backbone interact. energy: -0.178
local terms energy: -127.701747
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -22.516
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -454.148905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.148905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.875741 (E_RNA)
where:
Base-Base interactions energy: -319.270
where: short stacking energy: -137.096
Base-Backbone interact. energy: -1.290
local terms energy: -134.315028
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -35.251
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -37.039
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -430.079456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.079456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.509505 (E_RNA)
where:
Base-Base interactions energy: -316.470
where: short stacking energy: -123.945
Base-Backbone interact. energy: -0.632
local terms energy: -113.407136
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -536.134042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.134042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.274822 (E_RNA)
where:
Base-Base interactions energy: -376.324
where: short stacking energy: -143.812
Base-Backbone interact. energy: -1.466
local terms energy: -158.484408
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -33.093
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.141 (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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -526.359983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.359983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.437368 (E_RNA)
where:
Base-Base interactions energy: -370.799
where: short stacking energy: -157.100
Base-Backbone interact. energy: 0.514
local terms energy: -156.151954
where:
bonds (distance) C4'-P energy: -33.491
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -20.768
tors. eta vs tors. theta energy: -39.278
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -513.465741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.725340 (E_RNA)
where:
Base-Base interactions energy: -365.790
where: short stacking energy: -145.607
Base-Backbone interact. energy: -0.638
local terms energy: -147.297520
where:
bonds (distance) C4'-P energy: -24.145
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -41.335
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -502.524178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.524178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.733564 (E_RNA)
where:
Base-Base interactions energy: -359.509
where: short stacking energy: -138.973
Base-Backbone interact. energy: -1.347
local terms energy: -141.877665
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -33.816
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -36.182
Dist. restrs. and SS energy: 0.209 (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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -513.951068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.951068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.994820 (E_RNA)
where:
Base-Base interactions energy: -370.317
where: short stacking energy: -150.112
Base-Backbone interact. energy: 0.202
local terms energy: -143.879416
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -28.940
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -41.322
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -479.155162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.155162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.247687 (E_RNA)
where:
Base-Base interactions energy: -351.587
where: short stacking energy: -138.188
Base-Backbone interact. energy: 0.419
local terms energy: -128.079547
where:
bonds (distance) C4'-P energy: -26.267
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -30.712
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -34.370
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -455.719047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.719047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.978022 (E_RNA)
where:
Base-Base interactions energy: -328.850
where: short stacking energy: -124.928
Base-Backbone interact. energy: 3.574
local terms energy: -130.702380
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -481.920517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.920517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.458030 (E_RNA)
where:
Base-Base interactions energy: -333.227
where: short stacking energy: -132.792
Base-Backbone interact. energy: -0.335
local terms energy: -148.895991
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -32.363
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -36.060
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -438.676557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.676557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.132736 (E_RNA)
where:
Base-Base interactions energy: -312.762
where: short stacking energy: -116.729
Base-Backbone interact. energy: -0.278
local terms energy: -126.093007
where:
bonds (distance) C4'-P energy: -21.554
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.456 (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: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -434.915523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.915523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.480101 (E_RNA)
where:
Base-Base interactions energy: -316.285
where: short stacking energy: -122.798
Base-Backbone interact. energy: -0.247
local terms energy: -118.947318
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -29.496
Dist. restrs. and SS energy: 0.565 (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: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -531.192142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.192142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.198421 (E_RNA)
where:
Base-Base interactions energy: -375.755
where: short stacking energy: -147.074
Base-Backbone interact. energy: -0.504
local terms energy: -154.939538
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -24.989
tors. eta vs tors. theta energy: -37.418
Dist. restrs. and SS energy: 0.006 (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: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -528.009783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.009783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.114464 (E_RNA)
where:
Base-Base interactions energy: -371.123
where: short stacking energy: -152.688
Base-Backbone interact. energy: -0.687
local terms energy: -156.304054
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -23.991
tors. eta vs tors. theta energy: -41.296
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -518.223820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.223820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.407336 (E_RNA)
where:
Base-Base interactions energy: -373.611
where: short stacking energy: -154.338
Base-Backbone interact. energy: -0.543
local terms energy: -144.253660
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -27.718
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -38.299
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -505.500875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.500875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.634707 (E_RNA)
where:
Base-Base interactions energy: -358.112
where: short stacking energy: -142.541
Base-Backbone interact. energy: -0.245
local terms energy: -147.277344
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -32.628
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -41.709
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -482.734164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.734164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.188083 (E_RNA)
where:
Base-Base interactions energy: -347.337
where: short stacking energy: -146.911
Base-Backbone interact. energy: 0.389
local terms energy: -136.240727
where:
bonds (distance) C4'-P energy: -25.576
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -35.522
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -459.873035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.873035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.116194 (E_RNA)
where:
Base-Base interactions energy: -336.307
where: short stacking energy: -131.662
Base-Backbone interact. energy: 1.657
local terms energy: -125.466488
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -30.349
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -36.024
Dist. restrs. and SS energy: 0.243 (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: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -463.374706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.676995 (E_RNA)
where:
Base-Base interactions energy: -343.844
where: short stacking energy: -144.139
Base-Backbone interact. energy: -0.922
local terms energy: -118.911083
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -26.182
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -33.941
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -462.173965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.173965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.341710 (E_RNA)
where:
Base-Base interactions energy: -336.633
where: short stacking energy: -132.517
Base-Backbone interact. energy: -0.063
local terms energy: -125.645455
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -35.950
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -457.591142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.591142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.690779 (E_RNA)
where:
Base-Base interactions energy: -323.807
where: short stacking energy: -129.589
Base-Backbone interact. energy: -0.800
local terms energy: -133.083724
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -34.300
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -407.346162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.346162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.616500 (E_RNA)
where:
Base-Base interactions energy: -296.214
where: short stacking energy: -110.943
Base-Backbone interact. energy: -0.565
local terms energy: -110.836864
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -25.146
Dist. restrs. and SS energy: 0.270 (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: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -523.872554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.872554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.991840 (E_RNA)
where:
Base-Base interactions energy: -369.931
where: short stacking energy: -159.012
Base-Backbone interact. energy: 0.224
local terms energy: -154.284881
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -30.933
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -42.416
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -533.037399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.037399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.161633 (E_RNA)
where:
Base-Base interactions energy: -368.447
where: short stacking energy: -152.422
Base-Backbone interact. energy: -1.375
local terms energy: -163.339717
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -40.893
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -523.933574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.933574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.118411 (E_RNA)
where:
Base-Base interactions energy: -366.198
where: short stacking energy: -148.005
Base-Backbone interact. energy: -0.400
local terms energy: -157.520621
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.185 (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: 164
Temperature: 1.050000
Total energy: -488.999855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.999855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.235271 (E_RNA)
where:
Base-Base interactions energy: -340.678
where: short stacking energy: -138.382
Base-Backbone interact. energy: -0.574
local terms energy: -147.983929
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -36.362
Dist. restrs. and SS energy: 0.235 (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: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -498.767450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.767450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.213263 (E_RNA)
where:
Base-Base interactions energy: -349.285
where: short stacking energy: -143.255
Base-Backbone interact. energy: -0.493
local terms energy: -149.435406
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -31.038
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -40.366
Dist. restrs. and SS energy: 0.446 (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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -478.301063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.301063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.543468 (E_RNA)
where:
Base-Base interactions energy: -332.893
where: short stacking energy: -138.038
Base-Backbone interact. energy: -0.478
local terms energy: -145.173192
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -37.826
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: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -454.687704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.687704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.794827 (E_RNA)
where:
Base-Base interactions energy: -325.726
where: short stacking energy: -126.901
Base-Backbone interact. energy: -1.248
local terms energy: -127.821027
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -32.403
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -446.185443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.185443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.522238 (E_RNA)
where:
Base-Base interactions energy: -315.730
where: short stacking energy: -125.374
Base-Backbone interact. energy: 0.291
local terms energy: -131.083441
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -25.643
flat angles C4'-P-C4' energy: -27.827
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -29.032
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: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -450.329951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.329951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.884342 (E_RNA)
where:
Base-Base interactions energy: -326.213
where: short stacking energy: -127.429
Base-Backbone interact. energy: 2.047
local terms energy: -126.718598
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -33.939
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -420.691037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.691037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.056245 (E_RNA)
where:
Base-Base interactions energy: -305.751
where: short stacking energy: -110.258
Base-Backbone interact. energy: -0.238
local terms energy: -115.068008
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -26.876
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -30.177
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -536.414672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.414672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.626364 (E_RNA)
where:
Base-Base interactions energy: -375.859
where: short stacking energy: -163.444
Base-Backbone interact. energy: 0.040
local terms energy: -160.807525
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -33.955
flat angles P-C4'-P energy: -22.423
tors. eta vs tors. theta energy: -43.574
Dist. restrs. and SS energy: 0.212 (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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -526.246671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.246671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.464606 (E_RNA)
where:
Base-Base interactions energy: -374.580
where: short stacking energy: -147.923
Base-Backbone interact. energy: -0.935
local terms energy: -150.950213
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -39.361
Dist. restrs. and SS energy: 0.218 (S_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: 165
Temperature: 1.000000
Total energy: -516.929342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.929342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.203339 (E_RNA)
where:
Base-Base interactions energy: -367.929
where: short stacking energy: -136.320
Base-Backbone interact. energy: -0.849
local terms energy: -148.425760
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -33.642
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -32.371
Dist. restrs. and SS energy: 0.274 (S_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: 165
Temperature: 1.050000
Total energy: -504.167364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.167364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.678039 (E_RNA)
where:
Base-Base interactions energy: -352.774
where: short stacking energy: -138.208
Base-Backbone interact. energy: -1.281
local terms energy: -150.623092
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -33.660
flat angles C4'-P-C4' energy: -27.217
flat angles P-C4'-P energy: -22.490
tors. eta vs tors. theta energy: -39.869
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -488.862811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.862811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.164622 (E_RNA)
where:
Base-Base interactions energy: -350.059
where: short stacking energy: -130.899
Base-Backbone interact. energy: -0.444
local terms energy: -138.661106
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -28.932
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -36.661
Dist. restrs. and SS energy: 0.302 (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: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -473.351645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.351645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.692419 (E_RNA)
where:
Base-Base interactions energy: -328.198
where: short stacking energy: -122.543
Base-Backbone interact. energy: 0.539
local terms energy: -146.033430
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -36.329
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -440.778741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.778741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.228014 (E_RNA)
where:
Base-Base interactions energy: -317.715
where: short stacking energy: -132.192
Base-Backbone interact. energy: 0.933
local terms energy: -124.446199
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -448.370725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.370725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.953504 (E_RNA)
where:
Base-Base interactions energy: -316.681
where: short stacking energy: -136.775
Base-Backbone interact. energy: 1.819
local terms energy: -134.091085
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: -32.336
Dist. restrs. and SS energy: 0.583 (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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -443.990168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.990168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.359563 (E_RNA)
where:
Base-Base interactions energy: -327.480
where: short stacking energy: -132.427
Base-Backbone interact. energy: -1.301
local terms energy: -115.578270
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -24.560
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -29.036
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -436.642180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.642180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.062401 (E_RNA)
where:
Base-Base interactions energy: -313.922
where: short stacking energy: -115.561
Base-Backbone interact. energy: -0.747
local terms energy: -122.393891
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -28.734
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -28.638
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -537.850190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.850190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.015752 (E_RNA)
where:
Base-Base interactions energy: -377.507
where: short stacking energy: -159.873
Base-Backbone interact. energy: 0.678
local terms energy: -161.186604
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -34.341
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -43.422
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -518.668636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.668636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.732120 (E_RNA)
where:
Base-Base interactions energy: -365.386
where: short stacking energy: -139.436
Base-Backbone interact. energy: -0.497
local terms energy: -152.849072
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -37.409
Dist. restrs. and SS energy: 0.063 (S_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: 166
Temperature: 1.000000
Total energy: -506.324607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.324607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.492160 (E_RNA)
where:
Base-Base interactions energy: -370.632
where: short stacking energy: -132.441
Base-Backbone interact. energy: -1.749
local terms energy: -134.111856
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -29.103
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.168 (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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -505.215419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.215419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.435560 (E_RNA)
where:
Base-Base interactions energy: -363.782
where: short stacking energy: -131.235
Base-Backbone interact. energy: -0.198
local terms energy: -141.455861
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -32.057
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -34.230
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -498.833785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.978385 (E_RNA)
where:
Base-Base interactions energy: -357.780
where: short stacking energy: -143.402
Base-Backbone interact. energy: -0.341
local terms energy: -140.857106
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -448.201377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.201377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.364995 (E_RNA)
where:
Base-Base interactions energy: -311.787
where: short stacking energy: -117.735
Base-Backbone interact. energy: -0.422
local terms energy: -136.156166
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -23.177
tors. eta vs tors. theta energy: -33.993
Dist. restrs. and SS energy: 0.164 (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: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -448.579156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.579156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.640829 (E_RNA)
where:
Base-Base interactions energy: -326.558
where: short stacking energy: -120.667
Base-Backbone interact. energy: 1.181
local terms energy: -123.264274
where:
bonds (distance) C4'-P energy: -23.260
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -31.107
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -465.825001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.825001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.972520 (E_RNA)
where:
Base-Base interactions energy: -325.023
where: short stacking energy: -136.792
Base-Backbone interact. energy: -0.335
local terms energy: -140.614791
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -39.345
Dist. restrs. and SS energy: 0.148 (S_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: 166
Temperature: 1.300000
Total energy: -452.345921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.345921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.672088 (E_RNA)
where:
Base-Base interactions energy: -323.697
where: short stacking energy: -121.144
Base-Backbone interact. energy: -0.265
local terms energy: -128.710187
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -19.263
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.326 (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: 166
Temperature: 1.350000
Total energy: -413.785347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.785347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.992446 (E_RNA)
where:
Base-Base interactions energy: -297.267
where: short stacking energy: -109.815
Base-Backbone interact. energy: -0.245
local terms energy: -116.480040
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -31.560
Dist. restrs. and SS energy: 0.207 (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: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -542.390332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.390332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.496359 (E_RNA)
where:
Base-Base interactions energy: -384.418
where: short stacking energy: -151.142
Base-Backbone interact. energy: 0.550
local terms energy: -158.628220
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -37.235
Dist. restrs. and SS energy: 0.106 (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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -525.335644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.335644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.494714 (E_RNA)
where:
Base-Base interactions energy: -369.201
where: short stacking energy: -148.742
Base-Backbone interact. energy: -1.408
local terms energy: -154.885574
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -30.912
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -21.233
tors. eta vs tors. theta energy: -40.332
Dist. restrs. and SS energy: 0.159 (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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -510.197144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.197144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.390869 (E_RNA)
where:
Base-Base interactions energy: -361.153
where: short stacking energy: -141.613
Base-Backbone interact. energy: 0.012
local terms energy: -149.250465
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -27.120
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -38.575
Dist. restrs. and SS energy: 0.194 (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: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -500.075702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.075702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.370015 (E_RNA)
where:
Base-Base interactions energy: -351.900
where: short stacking energy: -139.176
Base-Backbone interact. energy: 0.905
local terms energy: -149.375231
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -494.351624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.351624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.790420 (E_RNA)
where:
Base-Base interactions energy: -357.348
where: short stacking energy: -147.976
Base-Backbone interact. energy: 1.287
local terms energy: -138.729757
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -39.783
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -454.400345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.400345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.852515 (E_RNA)
where:
Base-Base interactions energy: -320.153
where: short stacking energy: -133.143
Base-Backbone interact. energy: -0.148
local terms energy: -134.551999
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -453.920118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.920118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.548398 (E_RNA)
where:
Base-Base interactions energy: -323.568
where: short stacking energy: -133.121
Base-Backbone interact. energy: 1.203
local terms energy: -132.184062
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -28.551
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -36.639
Dist. restrs. and SS energy: 0.628 (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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -458.640583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.640583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.818313 (E_RNA)
where:
Base-Base interactions energy: -332.791
where: short stacking energy: -125.144
Base-Backbone interact. energy: -0.603
local terms energy: -125.423522
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -37.057
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -460.237747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.237747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.362462 (E_RNA)
where:
Base-Base interactions energy: -327.102
where: short stacking energy: -125.882
Base-Backbone interact. energy: -0.522
local terms energy: -132.739312
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -26.679
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -33.842
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -404.108134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.108134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.788245 (E_RNA)
where:
Base-Base interactions energy: -287.418
where: short stacking energy: -107.321
Base-Backbone interact. energy: -0.205
local terms energy: -117.165100
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -31.441
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -28.778
Dist. restrs. and SS energy: 0.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -536.620777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.620777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.827298 (E_RNA)
where:
Base-Base interactions energy: -369.491
where: short stacking energy: -147.443
Base-Backbone interact. energy: -1.279
local terms energy: -166.057468
where:
bonds (distance) C4'-P energy: -29.476
bonds (distance) P-C4' energy: -33.523
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -44.101
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -521.024719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.024719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.358805 (E_RNA)
where:
Base-Base interactions energy: -364.082
where: short stacking energy: -147.882
Base-Backbone interact. energy: -0.158
local terms energy: -157.118139
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -29.473
flat angles C4'-P-C4' energy: -34.099
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -525.196476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.196476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.250080 (E_RNA)
where:
Base-Base interactions energy: -366.723
where: short stacking energy: -153.974
Base-Backbone interact. energy: -0.489
local terms energy: -158.038501
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: -42.224
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -503.313775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.313775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.519034 (E_RNA)
where:
Base-Base interactions energy: -355.380
where: short stacking energy: -138.971
Base-Backbone interact. energy: -0.909
local terms energy: -147.229257
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -35.366
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -38.955
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -485.177466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.292344 (E_RNA)
where:
Base-Base interactions energy: -345.180
where: short stacking energy: -139.201
Base-Backbone interact. energy: -1.137
local terms energy: -138.974905
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -26.697
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -45.208
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -484.884983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.884983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.120232 (E_RNA)
where:
Base-Base interactions energy: -348.352
where: short stacking energy: -141.150
Base-Backbone interact. energy: 0.157
local terms energy: -136.925049
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -36.980
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -471.510808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.510808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.616988 (E_RNA)
where:
Base-Base interactions energy: -342.755
where: short stacking energy: -136.353
Base-Backbone interact. energy: 0.197
local terms energy: -129.058317
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -27.296
flat angles C4'-P-C4' energy: -27.514
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -37.306
Dist. restrs. and SS energy: 0.106 (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: 168
Temperature: 1.250000
Total energy: -454.370410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.370410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.129072 (E_RNA)
where:
Base-Base interactions energy: -326.624
where: short stacking energy: -129.159
Base-Backbone interact. energy: 1.019
local terms energy: -129.524333
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -31.507
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -445.422261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.422261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.955390 (E_RNA)
where:
Base-Base interactions energy: -318.602
where: short stacking energy: -125.426
Base-Backbone interact. energy: -0.224
local terms energy: -127.129608
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -22.632
flat angles C4'-P-C4' energy: -33.531
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -31.261
Dist. restrs. and SS energy: 0.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -413.177544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.177544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.484252 (E_RNA)
where:
Base-Base interactions energy: -296.955
where: short stacking energy: -112.591
Base-Backbone interact. energy: -0.803
local terms energy: -115.725555
where:
bonds (distance) C4'-P energy: -28.097
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -528.578687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.578687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.742716 (E_RNA)
where:
Base-Base interactions energy: -379.005
where: short stacking energy: -159.082
Base-Backbone interact. energy: -0.831
local terms energy: -148.907221
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -30.497
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -39.786
Dist. restrs. and SS energy: 0.164 (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: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -525.059972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.059972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.429401 (E_RNA)
where:
Base-Base interactions energy: -370.155
where: short stacking energy: -148.515
Base-Backbone interact. energy: -0.328
local terms energy: -154.946694
where:
bonds (distance) C4'-P energy: -31.383
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -37.336
Dist. restrs. and SS energy: 0.369 (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: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -520.991247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.991247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.045551 (E_RNA)
where:
Base-Base interactions energy: -365.309
where: short stacking energy: -145.270
Base-Backbone interact. energy: -0.671
local terms energy: -155.065893
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.054 (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: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -486.697940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.697940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.924279 (E_RNA)
where:
Base-Base interactions energy: -333.558
where: short stacking energy: -136.852
Base-Backbone interact. energy: 0.981
local terms energy: -154.347087
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.226 (S_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: 169
Temperature: 1.100000
Total energy: -492.357415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.357415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.460458 (E_RNA)
where:
Base-Base interactions energy: -354.420
where: short stacking energy: -133.443
Base-Backbone interact. energy: -0.578
local terms energy: -137.462546
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -31.565
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -34.043
Dist. restrs. and SS energy: 0.103 (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: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -484.037887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.037887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.223910 (E_RNA)
where:
Base-Base interactions energy: -347.983
where: short stacking energy: -133.564
Base-Backbone interact. energy: -0.403
local terms energy: -135.837417
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -33.212
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -465.947060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.947060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.074190 (E_RNA)
where:
Base-Base interactions energy: -336.938
where: short stacking energy: -130.316
Base-Backbone interact. energy: 0.840
local terms energy: -129.975995
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -26.609
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -39.185
Dist. restrs. and SS energy: 0.127 (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: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -461.734173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.734173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.830966 (E_RNA)
where:
Base-Base interactions energy: -331.494
where: short stacking energy: -124.171
Base-Backbone interact. energy: -1.019
local terms energy: -129.317226
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -31.577
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -438.076212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.076212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.676101 (E_RNA)
where:
Base-Base interactions energy: -313.825
where: short stacking energy: -116.204
Base-Backbone interact. energy: -0.477
local terms energy: -124.373526
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 0.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -406.729244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.729244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.178604 (E_RNA)
where:
Base-Base interactions energy: -291.425
where: short stacking energy: -111.664
Base-Backbone interact. energy: 0.624
local terms energy: -116.376921
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -29.452
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -530.716972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.716972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.764065 (E_RNA)
where:
Base-Base interactions energy: -369.865
where: short stacking energy: -157.317
Base-Backbone interact. energy: -0.587
local terms energy: -160.312314
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -24.681
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.047 (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: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -515.816693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.816693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.034140 (E_RNA)
where:
Base-Base interactions energy: -363.063
where: short stacking energy: -149.131
Base-Backbone interact. energy: -0.120
local terms energy: -152.850729
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.217 (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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -508.438188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.438188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.641835 (E_RNA)
where:
Base-Base interactions energy: -361.315
where: short stacking energy: -154.016
Base-Backbone interact. energy: 0.780
local terms energy: -148.106353
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -495.328400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.328400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.560213 (E_RNA)
where:
Base-Base interactions energy: -358.442
where: short stacking energy: -148.295
Base-Backbone interact. energy: 0.315
local terms energy: -137.433381
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.232 (S_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: 170
Temperature: 1.100000
Total energy: -488.038847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.038847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.260975 (E_RNA)
where:
Base-Base interactions energy: -348.677
where: short stacking energy: -141.485
Base-Backbone interact. energy: -0.396
local terms energy: -139.188240
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -26.546
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.222 (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: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -481.661393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.661393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.188811 (E_RNA)
where:
Base-Base interactions energy: -345.749
where: short stacking energy: -146.779
Base-Backbone interact. energy: -0.816
local terms energy: -135.623497
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -30.992
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -40.107
Dist. restrs. and SS energy: 0.527 (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: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -471.705502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.705502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.740256 (E_RNA)
where:
Base-Base interactions energy: -336.621
where: short stacking energy: -134.391
Base-Backbone interact. energy: 1.448
local terms energy: -136.566967
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -36.731
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -457.780329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.780329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.922356 (E_RNA)
where:
Base-Base interactions energy: -338.745
where: short stacking energy: -127.555
Base-Backbone interact. energy: -1.435
local terms energy: -117.741961
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -422.303893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.303893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.888018 (E_RNA)
where:
Base-Base interactions energy: -300.151
where: short stacking energy: -126.493
Base-Backbone interact. energy: -0.400
local terms energy: -122.337588
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -31.666
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.584 (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: 170
Temperature: 1.350000
Total energy: -422.441613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.441613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.856444 (E_RNA)
where:
Base-Base interactions energy: -304.847
where: short stacking energy: -122.046
Base-Backbone interact. energy: -0.849
local terms energy: -123.160249
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -30.714
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -31.200
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: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -531.788440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.788440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.119323 (E_RNA)
where:
Base-Base interactions energy: -365.676
where: short stacking energy: -159.258
Base-Backbone interact. energy: -2.939
local terms energy: -163.504865
where:
bonds (distance) C4'-P energy: -24.669
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -35.870
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -43.752
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -518.139257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.139257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.592568 (E_RNA)
where:
Base-Base interactions energy: -365.763
where: short stacking energy: -149.215
Base-Backbone interact. energy: -0.305
local terms energy: -152.524888
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -40.659
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: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -517.349193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.349193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.361730 (E_RNA)
where:
Base-Base interactions energy: -359.132
where: short stacking energy: -149.096
Base-Backbone interact. energy: 0.549
local terms energy: -158.779322
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -29.809
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -43.665
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -499.007621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.007621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.108543 (E_RNA)
where:
Base-Base interactions energy: -353.486
where: short stacking energy: -144.841
Base-Backbone interact. energy: -0.498
local terms energy: -145.124243
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -34.844
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. 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: -492.688874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.688874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.988595 (E_RNA)
where:
Base-Base interactions energy: -346.002
where: short stacking energy: -142.134
Base-Backbone interact. energy: -0.629
local terms energy: -146.358022
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -28.333
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -487.919425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.919425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.487018 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -154.629
Base-Backbone interact. energy: -0.895
local terms energy: -137.232107
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -22.347
flat angles C4'-P-C4' energy: -31.269
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -464.110827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.110827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.482708 (E_RNA)
where:
Base-Base interactions energy: -330.674
where: short stacking energy: -120.894
Base-Backbone interact. energy: 0.085
local terms energy: -133.894005
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -25.829
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -30.161
Dist. restrs. and SS energy: 0.372 (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: 171
Temperature: 1.250000
Total energy: -453.272173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.272173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.596463 (E_RNA)
where:
Base-Base interactions energy: -330.899
where: short stacking energy: -131.589
Base-Backbone interact. energy: -0.967
local terms energy: -121.730510
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -25.373
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -429.923637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.923637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.203769 (E_RNA)
where:
Base-Base interactions energy: -292.983
where: short stacking energy: -104.063
Base-Backbone interact. energy: -0.818
local terms energy: -136.403283
where:
bonds (distance) C4'-P energy: -23.475
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.280 (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: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -423.658083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.658083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.441509 (E_RNA)
where:
Base-Base interactions energy: -308.559
where: short stacking energy: -113.434
Base-Backbone interact. energy: -0.422
local terms energy: -115.460835
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -31.896
Dist. restrs. and SS energy: 0.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -530.805010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.805010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.850108 (E_RNA)
where:
Base-Base interactions energy: -374.967
where: short stacking energy: -155.432
Base-Backbone interact. energy: 1.967
local terms energy: -157.850773
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -527.005194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.005194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.150262 (E_RNA)
where:
Base-Base interactions energy: -374.041
where: short stacking energy: -151.950
Base-Backbone interact. energy: 0.011
local terms energy: -153.119727
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -43.053
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -498.831165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.831165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.921121 (E_RNA)
where:
Base-Base interactions energy: -368.544
where: short stacking energy: -146.308
Base-Backbone interact. energy: -0.676
local terms energy: -129.701158
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -38.300
Dist. restrs. and SS energy: 0.090 (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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -491.212033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.212033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.388587 (E_RNA)
where:
Base-Base interactions energy: -352.491
where: short stacking energy: -145.825
Base-Backbone interact. energy: -0.907
local terms energy: -137.990571
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -39.790
Dist. restrs. and SS energy: 0.177 (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: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -502.685275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.685275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.611919 (E_RNA)
where:
Base-Base interactions energy: -358.712
where: short stacking energy: -147.392
Base-Backbone interact. energy: -0.361
local terms energy: -144.538767
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -40.993
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: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -471.468147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.468147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.610093 (E_RNA)
where:
Base-Base interactions energy: -338.291
where: short stacking energy: -131.978
Base-Backbone interact. energy: -0.669
local terms energy: -132.649380
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -31.150
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -465.317893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.317893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.588438 (E_RNA)
where:
Base-Base interactions energy: -324.725
where: short stacking energy: -128.092
Base-Backbone interact. energy: -2.349
local terms energy: -138.514278
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -20.189
tors. eta vs tors. theta energy: -33.345
Dist. restrs. and SS energy: 0.271 (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: 172
Temperature: 1.250000
Total energy: -451.207539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.207539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.280152 (E_RNA)
where:
Base-Base interactions energy: -316.800
where: short stacking energy: -125.715
Base-Backbone interact. energy: -0.649
local terms energy: -133.831644
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -419.706519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.706519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.438786 (E_RNA)
where:
Base-Base interactions energy: -306.275
where: short stacking energy: -114.489
Base-Backbone interact. energy: -0.414
local terms energy: -113.750682
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -27.975
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -30.770
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: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -420.411730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.411730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.924355 (E_RNA)
where:
Base-Base interactions energy: -297.142
where: short stacking energy: -113.581
Base-Backbone interact. energy: -0.506
local terms energy: -123.276888
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.513 (S_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: 173
Temperature: 0.900000
Total energy: -537.362967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.362967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.426005 (E_RNA)
where:
Base-Base interactions energy: -377.316
where: short stacking energy: -142.567
Base-Backbone interact. energy: -0.365
local terms energy: -159.744896
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -30.354
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -35.149
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -527.746446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.746446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432014 (E_RNA)
where:
Base-Base interactions energy: -370.899
where: short stacking energy: -146.682
Base-Backbone interact. energy: -0.340
local terms energy: -157.193421
where:
bonds (distance) C4'-P energy: -25.512
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -32.851
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -42.929
Dist. restrs. and SS energy: 0.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -480.986009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.986009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.093976 (E_RNA)
where:
Base-Base interactions energy: -331.635
where: short stacking energy: -128.065
Base-Backbone interact. energy: 2.816
local terms energy: -152.275178
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -38.234
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -503.476922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.476922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.725136 (E_RNA)
where:
Base-Base interactions energy: -352.675
where: short stacking energy: -146.542
Base-Backbone interact. energy: -0.910
local terms energy: -150.139966
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: -40.254
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: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -481.536647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.536647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.858532 (E_RNA)
where:
Base-Base interactions energy: -333.522
where: short stacking energy: -135.691
Base-Backbone interact. energy: -0.339
local terms energy: -147.997078
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -36.827
Dist. restrs. and SS energy: 0.322 (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: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -483.573485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.573485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.050560 (E_RNA)
where:
Base-Base interactions energy: -342.115
where: short stacking energy: -135.252
Base-Backbone interact. energy: -0.796
local terms energy: -141.139493
where:
bonds (distance) C4'-P energy: -25.899
bonds (distance) P-C4' energy: -28.522
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -33.702
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -463.941348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.941348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.066769 (E_RNA)
where:
Base-Base interactions energy: -331.472
where: short stacking energy: -138.421
Base-Backbone interact. energy: 0.555
local terms energy: -133.150197
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -38.149
Dist. restrs. and SS energy: 0.125 (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: 173
Temperature: 1.250000
Total energy: -455.034557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.034557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.830559 (E_RNA)
where:
Base-Base interactions energy: -321.972
where: short stacking energy: -130.482
Base-Backbone interact. energy: -0.927
local terms energy: -132.930881
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -38.290
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: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -430.995806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.138189 (E_RNA)
where:
Base-Base interactions energy: -310.489
where: short stacking energy: -126.667
Base-Backbone interact. energy: -1.154
local terms energy: -119.494589
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -29.994
Dist. restrs. and SS energy: 0.142 (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: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -417.398762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.398762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.888415 (E_RNA)
where:
Base-Base interactions energy: -307.795
where: short stacking energy: -126.017
Base-Backbone interact. energy: -0.225
local terms energy: -109.867876
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.490 (S_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: 174
Temperature: 0.900000
Total energy: -533.588537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.588537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.873274 (E_RNA)
where:
Base-Base interactions energy: -376.663
where: short stacking energy: -148.450
Base-Backbone interact. energy: 0.570
local terms energy: -157.780198
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -38.852
Dist. restrs. and SS energy: 0.285 (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: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -519.413290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.413290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.549061 (E_RNA)
where:
Base-Base interactions energy: -360.746
where: short stacking energy: -142.774
Base-Backbone interact. energy: -0.522
local terms energy: -158.281759
where:
bonds (distance) C4'-P energy: -29.648
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -37.810
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -509.332894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.332894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.770464 (E_RNA)
where:
Base-Base interactions energy: -356.300
where: short stacking energy: -146.081
Base-Backbone interact. energy: 2.000
local terms energy: -155.471032
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -38.870
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -496.665206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.665206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.923189 (E_RNA)
where:
Base-Base interactions energy: -352.353
where: short stacking energy: -133.763
Base-Backbone interact. energy: -0.437
local terms energy: -144.132469
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -33.748
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -485.299575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.299575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.423644 (E_RNA)
where:
Base-Base interactions energy: -337.540
where: short stacking energy: -129.299
Base-Backbone interact. energy: -0.702
local terms energy: -147.181757
where:
bonds (distance) C4'-P energy: -34.443
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.124 (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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -477.646757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.646757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.232541 (E_RNA)
where:
Base-Base interactions energy: -334.889
where: short stacking energy: -134.050
Base-Backbone interact. energy: -0.579
local terms energy: -142.764207
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -33.026
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -32.526
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -471.163672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.163672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.542061 (E_RNA)
where:
Base-Base interactions energy: -341.260
where: short stacking energy: -135.342
Base-Backbone interact. energy: -0.385
local terms energy: -129.896735
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -33.006
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -459.908552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.908552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.076525 (E_RNA)
where:
Base-Base interactions energy: -335.726
where: short stacking energy: -137.194
Base-Backbone interact. energy: -0.356
local terms energy: -123.995042
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -37.657
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -426.458972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.458972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.166534 (E_RNA)
where:
Base-Base interactions energy: -297.279
where: short stacking energy: -119.298
Base-Backbone interact. energy: -1.411
local terms energy: -128.476499
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -425.451261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.451261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.546574 (E_RNA)
where:
Base-Base interactions energy: -295.627
where: short stacking energy: -111.557
Base-Backbone interact. energy: -1.931
local terms energy: -127.988896
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -539.050485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.050485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.426274 (E_RNA)
where:
Base-Base interactions energy: -386.815
where: short stacking energy: -158.062
Base-Backbone interact. energy: -0.430
local terms energy: -152.180738
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.376 (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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -530.477409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.477409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.641289 (E_RNA)
where:
Base-Base interactions energy: -379.536
where: short stacking energy: -150.794
Base-Backbone interact. energy: -1.118
local terms energy: -149.986744
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -29.492
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -517.770067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.770067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.804992 (E_RNA)
where:
Base-Base interactions energy: -365.230
where: short stacking energy: -150.427
Base-Backbone interact. energy: -0.693
local terms energy: -151.881871
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -31.163
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -45.499
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -511.424521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.424521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.570838 (E_RNA)
where:
Base-Base interactions energy: -355.409
where: short stacking energy: -139.486
Base-Backbone interact. energy: -0.170
local terms energy: -155.992236
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -28.654
flat angles C4'-P-C4' energy: -32.010
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -41.359
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -498.104463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.360118 (E_RNA)
where:
Base-Base interactions energy: -352.012
where: short stacking energy: -138.908
Base-Backbone interact. energy: 1.246
local terms energy: -147.594485
where:
bonds (distance) C4'-P energy: -31.490
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -30.574
Dist. restrs. and SS energy: 0.256 (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: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -474.250123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.250123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.767195 (E_RNA)
where:
Base-Base interactions energy: -351.572
where: short stacking energy: -144.498
Base-Backbone interact. energy: -0.476
local terms energy: -122.718919
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -24.712
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -33.998
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -472.887631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.887631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.163508 (E_RNA)
where:
Base-Base interactions energy: -338.582
where: short stacking energy: -121.203
Base-Backbone interact. energy: 0.014
local terms energy: -134.595886
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -30.442
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -447.838618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.838618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.968963 (E_RNA)
where:
Base-Base interactions energy: -315.574
where: short stacking energy: -116.239
Base-Backbone interact. energy: -0.624
local terms energy: -131.771289
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -30.926
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -437.246772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.246772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.780292 (E_RNA)
where:
Base-Base interactions energy: -312.308
where: short stacking energy: -126.460
Base-Backbone interact. energy: 3.909
local terms energy: -129.381587
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -33.422
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: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -427.246797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.246797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.566550 (E_RNA)
where:
Base-Base interactions energy: -300.819
where: short stacking energy: -126.094
Base-Backbone interact. energy: -0.421
local terms energy: -126.326296
where:
bonds (distance) C4'-P energy: -28.489
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -33.379
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -523.797725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.984662 (E_RNA)
where:
Base-Base interactions energy: -365.733
where: short stacking energy: -144.144
Base-Backbone interact. energy: -0.568
local terms energy: -157.683575
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -32.165
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -39.461
Dist. restrs. and SS energy: 0.187 (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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -517.613798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.613798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.844866 (E_RNA)
where:
Base-Base interactions energy: -364.472
where: short stacking energy: -139.204
Base-Backbone interact. energy: -0.488
local terms energy: -152.885047
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -31.453
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -40.629
Dist. restrs. and SS energy: 0.231 (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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -528.014631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.014631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.134559 (E_RNA)
where:
Base-Base interactions energy: -375.369
where: short stacking energy: -151.913
Base-Backbone interact. energy: -0.349
local terms energy: -152.416325
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -22.812
tors. eta vs tors. theta energy: -37.162
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -481.876831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.876831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.023854 (E_RNA)
where:
Base-Base interactions energy: -334.949
where: short stacking energy: -128.391
Base-Backbone interact. energy: -0.536
local terms energy: -146.539453
where:
bonds (distance) C4'-P energy: -30.621
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -29.869
Dist. restrs. and SS energy: 0.147 (S_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: 176
Temperature: 1.100000
Total energy: -477.705350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.705350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.134913 (E_RNA)
where:
Base-Base interactions energy: -340.254
where: short stacking energy: -129.490
Base-Backbone interact. energy: -0.477
local terms energy: -137.404094
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -30.738
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -29.767
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -496.130020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.130020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.644002 (E_RNA)
where:
Base-Base interactions energy: -355.531
where: short stacking energy: -133.961
Base-Backbone interact. energy: 0.127
local terms energy: -141.240650
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -39.172
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -465.449904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.449904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.509409 (E_RNA)
where:
Base-Base interactions energy: -333.690
where: short stacking energy: -130.548
Base-Backbone interact. energy: -0.525
local terms energy: -131.294925
where:
bonds (distance) C4'-P energy: -25.202
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -32.026
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -36.499
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -457.487074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.487074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.745699 (E_RNA)
where:
Base-Base interactions energy: -317.009
where: short stacking energy: -117.678
Base-Backbone interact. energy: -0.508
local terms energy: -140.228550
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -31.991
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -424.445067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.445067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.476980 (E_RNA)
where:
Base-Base interactions energy: -315.349
where: short stacking energy: -124.250
Base-Backbone interact. energy: 0.352
local terms energy: -109.480028
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -22.158
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -31.966
Dist. restrs. and SS energy: 0.032 (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: 176
Temperature: 1.350000
Total energy: -425.947405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.947405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.193234 (E_RNA)
where:
Base-Base interactions energy: -294.719
where: short stacking energy: -113.200
Base-Backbone interact. energy: -0.510
local terms energy: -130.965116
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -536.388073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.388073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.449564 (E_RNA)
where:
Base-Base interactions energy: -391.555
where: short stacking energy: -138.435
Base-Backbone interact. energy: -0.682
local terms energy: -144.212636
where:
bonds (distance) C4'-P energy: -31.568
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: 0.061 (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: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -526.164224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.164224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.379310 (E_RNA)
where:
Base-Base interactions energy: -368.675
where: short stacking energy: -148.290
Base-Backbone interact. energy: -0.427
local terms energy: -157.276954
where:
bonds (distance) C4'-P energy: -32.239
bonds (distance) P-C4' energy: -30.279
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -37.399
Dist. restrs. and SS energy: 0.215 (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: 177
Temperature: 1.000000
Total energy: -521.935205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.935205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.048725 (E_RNA)
where:
Base-Base interactions energy: -377.148
where: short stacking energy: -155.782
Base-Backbone interact. energy: -0.539
local terms energy: -144.361368
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -40.910
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -496.614105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.614105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.830479 (E_RNA)
where:
Base-Base interactions energy: -364.030
where: short stacking energy: -150.109
Base-Backbone interact. energy: -0.849
local terms energy: -131.951157
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -25.813
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -33.684
Dist. restrs. and SS energy: 0.216 (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: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -489.706143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.706143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.853014 (E_RNA)
where:
Base-Base interactions energy: -353.787
where: short stacking energy: -139.330
Base-Backbone interact. energy: -0.717
local terms energy: -135.349234
where:
bonds (distance) C4'-P energy: -29.026
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.147 (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: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -476.769886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.769886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.942228 (E_RNA)
where:
Base-Base interactions energy: -340.280
where: short stacking energy: -136.321
Base-Backbone interact. energy: -0.223
local terms energy: -136.439436
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -38.280
Dist. restrs. and SS energy: 0.172 (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: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -458.525206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.525206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.758894 (E_RNA)
where:
Base-Base interactions energy: -334.390
where: short stacking energy: -127.171
Base-Backbone interact. energy: -0.794
local terms energy: -123.575476
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -31.567
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -446.098028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.098028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.329962 (E_RNA)
where:
Base-Base interactions energy: -318.874
where: short stacking energy: -110.879
Base-Backbone interact. energy: -0.548
local terms energy: -127.908115
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -433.030993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.030993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.153078 (E_RNA)
where:
Base-Base interactions energy: -311.548
where: short stacking energy: -125.025
Base-Backbone interact. energy: 1.952
local terms energy: -123.556888
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -27.080
Dist. restrs. and SS energy: 0.122 (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: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -417.198838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.198838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.931797 (E_RNA)
where:
Base-Base interactions energy: -296.883
where: short stacking energy: -112.010
Base-Backbone interact. energy: -0.729
local terms energy: -120.319146
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -28.237
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: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -538.065267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.065267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.331748 (E_RNA)
where:
Base-Base interactions energy: -385.750
where: short stacking energy: -163.191
Base-Backbone interact. energy: -0.249
local terms energy: -152.333345
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -39.140
Dist. restrs. and SS energy: 0.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -528.125681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.125681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.411971 (E_RNA)
where:
Base-Base interactions energy: -377.791
where: short stacking energy: -148.904
Base-Backbone interact. energy: -0.377
local terms energy: -150.244486
where:
bonds (distance) C4'-P energy: -31.556
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -509.976738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.976738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.775213 (E_RNA)
where:
Base-Base interactions energy: -367.746
where: short stacking energy: -153.339
Base-Backbone interact. energy: -0.490
local terms energy: -142.539141
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -499.814800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.814800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.252100 (E_RNA)
where:
Base-Base interactions energy: -365.417
where: short stacking energy: -143.296
Base-Backbone interact. energy: -0.083
local terms energy: -134.751957
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -34.545
Dist. restrs. and SS energy: 0.437 (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: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -499.248095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.248095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.304078 (E_RNA)
where:
Base-Base interactions energy: -356.845
where: short stacking energy: -145.150
Base-Backbone interact. energy: 0.278
local terms energy: -142.737022
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -34.748
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -37.847
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -478.153559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.153559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.661303 (E_RNA)
where:
Base-Base interactions energy: -344.719
where: short stacking energy: -139.823
Base-Backbone interact. energy: -0.603
local terms energy: -133.338895
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -34.121
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -464.237505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.237505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.425374 (E_RNA)
where:
Base-Base interactions energy: -340.280
where: short stacking energy: -130.260
Base-Backbone interact. energy: 2.202
local terms energy: -126.347495
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -27.106
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -441.013556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.013556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.065065 (E_RNA)
where:
Base-Base interactions energy: -312.757
where: short stacking energy: -120.449
Base-Backbone interact. energy: 1.841
local terms energy: -130.148545
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -29.230
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -34.180
Dist. restrs. and SS energy: 0.052 (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: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -438.375589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.375589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.590580 (E_RNA)
where:
Base-Base interactions energy: -315.918
where: short stacking energy: -126.102
Base-Backbone interact. energy: 1.552
local terms energy: -124.225281
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -398.984926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.984926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.176166 (E_RNA)
where:
Base-Base interactions energy: -291.044
where: short stacking energy: -108.222
Base-Backbone interact. energy: 2.960
local terms energy: -114.092399
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 3.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -535.010561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.010561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.023060 (E_RNA)
where:
Base-Base interactions energy: -376.884
where: short stacking energy: -150.610
Base-Backbone interact. energy: -0.499
local terms energy: -157.640643
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -32.710
flat angles C4'-P-C4' energy: -32.872
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -41.937
Dist. restrs. and SS energy: 0.012 (S_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: 179
Temperature: 0.950000
Total energy: -529.364503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.364503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.435456 (E_RNA)
where:
Base-Base interactions energy: -377.354
where: short stacking energy: -150.318
Base-Backbone interact. energy: -0.468
local terms energy: -151.613407
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -38.893
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -497.223690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.223690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.624570 (E_RNA)
where:
Base-Base interactions energy: -347.814
where: short stacking energy: -147.150
Base-Backbone interact. energy: -0.754
local terms energy: -149.056869
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -31.077
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -506.665446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.665446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.752879 (E_RNA)
where:
Base-Base interactions energy: -356.143
where: short stacking energy: -146.612
Base-Backbone interact. energy: -0.676
local terms energy: -149.934313
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -41.344
Dist. restrs. and SS energy: 0.087 (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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -486.773940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.773940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.184740 (E_RNA)
where:
Base-Base interactions energy: -344.402
where: short stacking energy: -146.605
Base-Backbone interact. energy: -0.343
local terms energy: -142.439292
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -42.134
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -481.082506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.082506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.291558 (E_RNA)
where:
Base-Base interactions energy: -342.876
where: short stacking energy: -133.645
Base-Backbone interact. energy: -0.288
local terms energy: -138.127653
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -30.624
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -33.504
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -465.674231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.674231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.060531 (E_RNA)
where:
Base-Base interactions energy: -332.766
where: short stacking energy: -124.976
Base-Backbone interact. energy: -0.107
local terms energy: -133.187800
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -34.143
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -446.195162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.195162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.291922 (E_RNA)
where:
Base-Base interactions energy: -327.846
where: short stacking energy: -123.904
Base-Backbone interact. energy: -0.287
local terms energy: -118.159641
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -445.673796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.673796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.362085 (E_RNA)
where:
Base-Base interactions energy: -313.135
where: short stacking energy: -120.657
Base-Backbone interact. energy: -1.263
local terms energy: -131.963352
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -32.831
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -29.311
Dist. restrs. and SS energy: 0.688 (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: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -407.033208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.033208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.322148 (E_RNA)
where:
Base-Base interactions energy: -299.001
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.184
local terms energy: -108.137377
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -545.096697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.096697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.193324 (E_RNA)
where:
Base-Base interactions energy: -386.900
where: short stacking energy: -164.378
Base-Backbone interact. energy: -0.905
local terms energy: -157.387783
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -27.946
tors. eta vs tors. theta energy: -41.113
Dist. restrs. and SS energy: 0.097 (S_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: 180
Temperature: 0.950000
Total energy: -517.845399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.845399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.307522 (E_RNA)
where:
Base-Base interactions energy: -360.833
where: short stacking energy: -144.295
Base-Backbone interact. energy: -0.504
local terms energy: -156.970911
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -30.054
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -34.117
Dist. restrs. and SS energy: 0.462 (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: 180
Temperature: 1.000000
Total energy: -512.965119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.965119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.375837 (E_RNA)
where:
Base-Base interactions energy: -365.487
where: short stacking energy: -149.259
Base-Backbone interact. energy: 0.642
local terms energy: -148.531113
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -41.529
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -488.415707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.415707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.791085 (E_RNA)
where:
Base-Base interactions energy: -344.254
where: short stacking energy: -139.567
Base-Backbone interact. energy: -2.058
local terms energy: -142.479592
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -497.419630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.419630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.214708 (E_RNA)
where:
Base-Base interactions energy: -357.756
where: short stacking energy: -142.567
Base-Backbone interact. energy: -0.439
local terms energy: -140.020329
where:
bonds (distance) C4'-P energy: -27.602
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -37.655
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -499.897429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.897429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.935998 (E_RNA)
where:
Base-Base interactions energy: -355.798
where: short stacking energy: -146.155
Base-Backbone interact. energy: 3.286
local terms energy: -147.424552
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -30.767
flat angles C4'-P-C4' energy: -30.783
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -36.868
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -471.919113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.919113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.017114 (E_RNA)
where:
Base-Base interactions energy: -347.078
where: short stacking energy: -136.369
Base-Backbone interact. energy: 2.234
local terms energy: -127.172430
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -29.450
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -32.310
Dist. restrs. and SS energy: 0.098 (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: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -439.621024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.621024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.867220 (E_RNA)
where:
Base-Base interactions energy: -314.991
where: short stacking energy: -123.088
Base-Backbone interact. energy: -0.593
local terms energy: -124.283349
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -31.466
Dist. restrs. and SS energy: 0.246 (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: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -424.132203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.132203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.475869 (E_RNA)
where:
Base-Base interactions energy: -306.367
where: short stacking energy: -120.118
Base-Backbone interact. energy: -0.688
local terms energy: -117.420757
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -28.699
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -403.166130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.166130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.557399 (E_RNA)
where:
Base-Base interactions energy: -279.534
where: short stacking energy: -106.991
Base-Backbone interact. energy: 0.877
local terms energy: -124.900813
where:
bonds (distance) C4'-P energy: -29.442
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -26.030
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -530.922662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.922662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.238835 (E_RNA)
where:
Base-Base interactions energy: -381.874
where: short stacking energy: -155.090
Base-Backbone interact. energy: -0.575
local terms energy: -148.790158
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -39.613
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -519.096925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.096925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.461256 (E_RNA)
where:
Base-Base interactions energy: -370.527
where: short stacking energy: -151.518
Base-Backbone interact. energy: -0.004
local terms energy: -148.929925
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -511.282322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.282322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.785626 (E_RNA)
where:
Base-Base interactions energy: -367.953
where: short stacking energy: -146.587
Base-Backbone interact. energy: -0.337
local terms energy: -143.495812
where:
bonds (distance) C4'-P energy: -24.367
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -37.141
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -503.791140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.791140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.829479 (E_RNA)
where:
Base-Base interactions energy: -356.371
where: short stacking energy: -142.042
Base-Backbone interact. energy: -1.884
local terms energy: -145.574791
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -35.894
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -483.866776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.866776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.069106 (E_RNA)
where:
Base-Base interactions energy: -346.511
where: short stacking energy: -138.216
Base-Backbone interact. energy: 1.728
local terms energy: -139.285430
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.202 (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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -472.353496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.353496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.628311 (E_RNA)
where:
Base-Base interactions energy: -336.537
where: short stacking energy: -121.868
Base-Backbone interact. energy: 1.085
local terms energy: -137.176627
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -19.276
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -463.505825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.505825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.752310 (E_RNA)
where:
Base-Base interactions energy: -339.178
where: short stacking energy: -127.842
Base-Backbone interact. energy: -1.144
local terms energy: -123.430321
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -408.448359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.448359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.664934 (E_RNA)
where:
Base-Base interactions energy: -289.005
where: short stacking energy: -108.789
Base-Backbone interact. energy: 0.200
local terms energy: -119.860486
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -18.835
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.217 (S_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: -430.103030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.103030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.448912 (E_RNA)
where:
Base-Base interactions energy: -293.903
where: short stacking energy: -125.343
Base-Backbone interact. energy: 2.847
local terms energy: -139.392452
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -33.106
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.346 (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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -398.262656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.262656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.533405 (E_RNA)
where:
Base-Base interactions energy: -282.561
where: short stacking energy: -105.825
Base-Backbone interact. energy: -0.726
local terms energy: -115.246878
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -25.624
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -535.467141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.467141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.730068 (E_RNA)
where:
Base-Base interactions energy: -374.466
where: short stacking energy: -152.067
Base-Backbone interact. energy: -0.407
local terms energy: -160.857454
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -42.475
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -511.930217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.930217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.054959 (E_RNA)
where:
Base-Base interactions energy: -364.704
where: short stacking energy: -150.901
Base-Backbone interact. energy: -0.392
local terms energy: -146.959259
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -39.421
Dist. restrs. and SS energy: 0.125 (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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -509.818882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.818882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.957917 (E_RNA)
where:
Base-Base interactions energy: -366.631
where: short stacking energy: -146.673
Base-Backbone interact. energy: -0.942
local terms energy: -142.384920
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -36.219
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -503.990695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.990695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.393123 (E_RNA)
where:
Base-Base interactions energy: -352.387
where: short stacking energy: -141.340
Base-Backbone interact. energy: 0.484
local terms energy: -152.490382
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -488.560609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.560609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.956581 (E_RNA)
where:
Base-Base interactions energy: -348.172
where: short stacking energy: -140.054
Base-Backbone interact. energy: -0.716
local terms energy: -140.068146
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -36.917
Dist. restrs. and SS energy: 0.396 (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: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -470.829224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.829224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.130858 (E_RNA)
where:
Base-Base interactions energy: -336.428
where: short stacking energy: -140.813
Base-Backbone interact. energy: -0.391
local terms energy: -134.311190
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -29.944
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -31.964
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -485.733820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.733820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.017808 (E_RNA)
where:
Base-Base interactions energy: -348.574
where: short stacking energy: -141.358
Base-Backbone interact. energy: 1.345
local terms energy: -138.788862
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. 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: -429.673227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.673227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.814735 (E_RNA)
where:
Base-Base interactions energy: -307.735
where: short stacking energy: -120.630
Base-Backbone interact. energy: -0.753
local terms energy: -121.326042
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -30.842
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -416.819901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.819901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.248543 (E_RNA)
where:
Base-Base interactions energy: -291.231
where: short stacking energy: -118.062
Base-Backbone interact. energy: -0.236
local terms energy: -125.781273
where:
bonds (distance) C4'-P energy: -28.417
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -26.904
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -445.251065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.251065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.632436 (E_RNA)
where:
Base-Base interactions energy: -317.510
where: short stacking energy: -121.471
Base-Backbone interact. energy: -2.154
local terms energy: -125.968703
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -26.743
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -33.032
Dist. restrs. and SS energy: 0.381 (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: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -527.607881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.607881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.095266 (E_RNA)
where:
Base-Base interactions energy: -369.361
where: short stacking energy: -154.076
Base-Backbone interact. energy: -0.454
local terms energy: -158.279566
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -28.121
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -41.077
Dist. restrs. and SS energy: 0.487 (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: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -529.405357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.405357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.883068 (E_RNA)
where:
Base-Base interactions energy: -371.319
where: short stacking energy: -154.033
Base-Backbone interact. energy: -0.672
local terms energy: -157.892011
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -40.046
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -514.504213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.504213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.532664 (E_RNA)
where:
Base-Base interactions energy: -360.224
where: short stacking energy: -142.861
Base-Backbone interact. energy: -0.061
local terms energy: -154.247968
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -28.894
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -26.479
tors. eta vs tors. theta energy: -36.900
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -506.083388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.083388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.180572 (E_RNA)
where:
Base-Base interactions energy: -352.249
where: short stacking energy: -140.316
Base-Backbone interact. energy: -1.038
local terms energy: -152.894102
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -25.366
tors. eta vs tors. theta energy: -37.385
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -487.552144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.552144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.793129 (E_RNA)
where:
Base-Base interactions energy: -343.751
where: short stacking energy: -136.444
Base-Backbone interact. energy: -0.270
local terms energy: -143.772145
where:
bonds (distance) C4'-P energy: -27.337
bonds (distance) P-C4' energy: -25.452
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -36.823
Dist. restrs. and SS energy: 0.241 (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: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -477.531093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.531093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.850617 (E_RNA)
where:
Base-Base interactions energy: -340.197
where: short stacking energy: -130.338
Base-Backbone interact. energy: -0.819
local terms energy: -137.834510
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -28.276
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -33.593
Dist. restrs. and SS energy: 1.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -466.016003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.016003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.523816 (E_RNA)
where:
Base-Base interactions energy: -331.839
where: short stacking energy: -136.857
Base-Backbone interact. energy: -0.547
local terms energy: -134.138094
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -36.561
Dist. restrs. and SS energy: 0.508 (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: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -431.242468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.242468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.384763 (E_RNA)
where:
Base-Base interactions energy: -312.351
where: short stacking energy: -125.694
Base-Backbone interact. energy: -0.355
local terms energy: -118.679150
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -30.341
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -437.444877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.444877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.122173 (E_RNA)
where:
Base-Base interactions energy: -306.149
where: short stacking energy: -123.369
Base-Backbone interact. energy: 0.024
local terms energy: -131.997340
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -27.240
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.677 (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: 183
Temperature: 1.350000
Total energy: -445.104064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.104064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.915027 (E_RNA)
where:
Base-Base interactions energy: -326.275
where: short stacking energy: -124.966
Base-Backbone interact. energy: -0.670
local terms energy: -118.970888
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -539.824237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.824237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.933976 (E_RNA)
where:
Base-Base interactions energy: -381.392
where: short stacking energy: -151.838
Base-Backbone interact. energy: -0.564
local terms energy: -157.977952
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -42.995
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -523.646721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.646721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.818696 (E_RNA)
where:
Base-Base interactions energy: -373.405
where: short stacking energy: -152.862
Base-Backbone interact. energy: -0.757
local terms energy: -149.656105
where:
bonds (distance) C4'-P energy: -27.730
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -36.491
Dist. restrs. and SS energy: 0.172 (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: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -526.576204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.576204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.724718 (E_RNA)
where:
Base-Base interactions energy: -367.758
where: short stacking energy: -157.835
Base-Backbone interact. energy: -0.677
local terms energy: -158.289202
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -39.030
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -512.390818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.390818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.486663 (E_RNA)
where:
Base-Base interactions energy: -362.704
where: short stacking energy: -136.738
Base-Backbone interact. energy: -0.330
local terms energy: -149.452074
where:
bonds (distance) C4'-P energy: -25.305
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -34.830
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.096 (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: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -496.883744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.883744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.073602 (E_RNA)
where:
Base-Base interactions energy: -351.813
where: short stacking energy: -135.887
Base-Backbone interact. energy: -0.402
local terms energy: -144.858302
where:
bonds (distance) C4'-P energy: -32.433
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.190 (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: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -472.432984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.432984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.535469 (E_RNA)
where:
Base-Base interactions energy: -338.460
where: short stacking energy: -133.972
Base-Backbone interact. energy: -2.752
local terms energy: -131.323290
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.102 (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: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -453.643935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.643935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.650213 (E_RNA)
where:
Base-Base interactions energy: -334.018
where: short stacking energy: -133.249
Base-Backbone interact. energy: -0.023
local terms energy: -119.609387
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -34.144
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -425.089616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.089616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.137176 (E_RNA)
where:
Base-Base interactions energy: -299.091
where: short stacking energy: -107.509
Base-Backbone interact. energy: -0.354
local terms energy: -126.692742
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -25.656
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 1.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -446.268994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.268994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.688657 (E_RNA)
where:
Base-Base interactions energy: -320.009
where: short stacking energy: -128.192
Base-Backbone interact. energy: -0.469
local terms energy: -126.211114
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -27.213
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. 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: -423.026548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.150035 (E_RNA)
where:
Base-Base interactions energy: -304.875
where: short stacking energy: -120.709
Base-Backbone interact. energy: -0.717
local terms energy: -118.558341
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -29.712
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: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -535.407661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.407661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.418152 (E_RNA)
where:
Base-Base interactions energy: -374.905
where: short stacking energy: -146.473
Base-Backbone interact. energy: -0.838
local terms energy: -159.675631
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -30.459
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: -38.033
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -524.349710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.349710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.400784 (E_RNA)
where:
Base-Base interactions energy: -376.924
where: short stacking energy: -164.026
Base-Backbone interact. energy: -0.466
local terms energy: -147.010980
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -43.098
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -517.519629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.519629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.694709 (E_RNA)
where:
Base-Base interactions energy: -365.835
where: short stacking energy: -146.290
Base-Backbone interact. energy: -0.837
local terms energy: -151.022686
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -38.594
Dist. restrs. and SS energy: 0.175 (S_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: 185
Temperature: 1.050000
Total energy: -501.649830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.649830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.505146 (E_RNA)
where:
Base-Base interactions energy: -359.096
where: short stacking energy: -143.974
Base-Backbone interact. energy: -0.396
local terms energy: -143.012619
where:
bonds (distance) C4'-P energy: -24.725
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -36.723
Dist. restrs. and SS energy: 0.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -491.769223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.769223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.201393 (E_RNA)
where:
Base-Base interactions energy: -351.666
where: short stacking energy: -144.551
Base-Backbone interact. energy: -0.147
local terms energy: -140.388431
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -25.192
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -38.596
Dist. restrs. and SS energy: 0.432 (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: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -467.804508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.804508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.866788 (E_RNA)
where:
Base-Base interactions energy: -342.150
where: short stacking energy: -138.679
Base-Backbone interact. energy: 0.267
local terms energy: -125.983272
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -36.557
Dist. restrs. and SS energy: 0.062 (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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -464.221848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.221848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.275259 (E_RNA)
where:
Base-Base interactions energy: -330.922
where: short stacking energy: -122.849
Base-Backbone interact. energy: -1.192
local terms energy: -132.161426
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -32.653
Dist. restrs. and SS energy: 0.053 (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: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -451.845175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.845175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.140444 (E_RNA)
where:
Base-Base interactions energy: -329.165
where: short stacking energy: -125.535
Base-Backbone interact. energy: -1.464
local terms energy: -121.510857
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -28.099
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -429.047301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.047301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.237290 (E_RNA)
where:
Base-Base interactions energy: -301.963
where: short stacking energy: -120.858
Base-Backbone interact. energy: -0.087
local terms energy: -127.187680
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. 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: -410.446780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.446780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.801851 (E_RNA)
where:
Base-Base interactions energy: -293.683
where: short stacking energy: -110.371
Base-Backbone interact. energy: -0.252
local terms energy: -116.866778
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -526.929728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.929728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.021739 (E_RNA)
where:
Base-Base interactions energy: -376.825
where: short stacking energy: -150.512
Base-Backbone interact. energy: -0.416
local terms energy: -149.780398
where:
bonds (distance) C4'-P energy: -27.963
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -35.500
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -34.556
Dist. restrs. and SS energy: 0.092 (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: 186
Temperature: 0.950000
Total energy: -535.613753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.613753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.810699 (E_RNA)
where:
Base-Base interactions energy: -383.631
where: short stacking energy: -164.450
Base-Backbone interact. energy: -0.375
local terms energy: -151.805643
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -507.676577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.676577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.799474 (E_RNA)
where:
Base-Base interactions energy: -354.941
where: short stacking energy: -144.823
Base-Backbone interact. energy: -1.489
local terms energy: -151.369524
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -39.085
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -488.315985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.315985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.580120 (E_RNA)
where:
Base-Base interactions energy: -351.568
where: short stacking energy: -134.575
Base-Backbone interact. energy: 1.615
local terms energy: -138.626925
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.264 (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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -489.316367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.316367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.600474 (E_RNA)
where:
Base-Base interactions energy: -344.974
where: short stacking energy: -149.723
Base-Backbone interact. energy: 2.245
local terms energy: -146.872034
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -39.012
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -469.938659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.938659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.342897 (E_RNA)
where:
Base-Base interactions energy: -331.578
where: short stacking energy: -130.944
Base-Backbone interact. energy: 3.046
local terms energy: -141.810733
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -17.575
tors. eta vs tors. theta energy: -31.059
Dist. restrs. and SS energy: 0.404 (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: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -469.886508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.886508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.219479 (E_RNA)
where:
Base-Base interactions energy: -342.345
where: short stacking energy: -128.135
Base-Backbone interact. energy: -0.446
local terms energy: -127.429307
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -24.321
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -39.843
Dist. restrs. and SS energy: 0.333 (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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -448.997544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.997544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.264831 (E_RNA)
where:
Base-Base interactions energy: -328.435
where: short stacking energy: -126.258
Base-Backbone interact. energy: -0.644
local terms energy: -120.185778
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -25.908
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -435.491843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.491843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.878993 (E_RNA)
where:
Base-Base interactions energy: -304.761
where: short stacking energy: -126.996
Base-Backbone interact. energy: -0.410
local terms energy: -130.708161
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -26.350
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.387 (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: 186
Temperature: 1.350000
Total energy: -395.738453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.738453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.349558 (E_RNA)
where:
Base-Base interactions energy: -282.709
where: short stacking energy: -105.470
Base-Backbone interact. energy: -1.356
local terms energy: -115.284978
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 3.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -515.856011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.856011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.906920 (E_RNA)
where:
Base-Base interactions energy: -363.521
where: short stacking energy: -145.242
Base-Backbone interact. energy: 0.023
local terms energy: -152.409223
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -32.552
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -36.088
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -523.404993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.404993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.586297 (E_RNA)
where:
Base-Base interactions energy: -367.739
where: short stacking energy: -145.905
Base-Backbone interact. energy: -0.906
local terms energy: -154.941235
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -32.653
Dist. restrs. and SS energy: 0.181 (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: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -514.923955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.923955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.448589 (E_RNA)
where:
Base-Base interactions energy: -363.304
where: short stacking energy: -157.885
Base-Backbone interact. energy: -0.481
local terms energy: -151.664017
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -41.369
Dist. restrs. and SS energy: 0.525 (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: 187
Temperature: 1.050000
Total energy: -512.109916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.109916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.573292 (E_RNA)
where:
Base-Base interactions energy: -357.605
where: short stacking energy: -154.263
Base-Backbone interact. energy: -1.493
local terms energy: -153.475066
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -28.945
flat angles C4'-P-C4' energy: -28.151
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -45.278
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -493.627772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.627772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.923178 (E_RNA)
where:
Base-Base interactions energy: -337.504
where: short stacking energy: -143.513
Base-Backbone interact. energy: -0.275
local terms energy: -156.144249
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -468.227569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.227569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.632010 (E_RNA)
where:
Base-Base interactions energy: -330.437
where: short stacking energy: -139.009
Base-Backbone interact. energy: -0.191
local terms energy: -138.003900
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -37.837
Dist. restrs. and SS energy: 0.404 (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: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -472.851152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.851152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.101433 (E_RNA)
where:
Base-Base interactions energy: -345.534
where: short stacking energy: -136.735
Base-Backbone interact. energy: 0.299
local terms energy: -127.866197
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -471.518111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.518111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.053974 (E_RNA)
where:
Base-Base interactions energy: -331.096
where: short stacking energy: -143.457
Base-Backbone interact. energy: -0.781
local terms energy: -140.177339
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -39.773
Dist. restrs. and SS energy: 0.536 (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: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -428.829545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.829545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.039060 (E_RNA)
where:
Base-Base interactions energy: -302.899
where: short stacking energy: -120.844
Base-Backbone interact. energy: -0.293
local terms energy: -125.846891
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -387.626624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.626624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.551943 (E_RNA)
where:
Base-Base interactions energy: -276.269
where: short stacking energy: -109.917
Base-Backbone interact. energy: -0.334
local terms energy: -116.948891
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -26.157
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: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -541.282564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.282564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.316892 (E_RNA)
where:
Base-Base interactions energy: -380.173
where: short stacking energy: -163.653
Base-Backbone interact. energy: -0.713
local terms energy: -160.431345
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -29.354
flat angles C4'-P-C4' energy: -36.554
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -519.117203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.117203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.645834 (E_RNA)
where:
Base-Base interactions energy: -368.513
where: short stacking energy: -141.586
Base-Backbone interact. energy: -0.038
local terms energy: -151.094579
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -38.340
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: 188
Temperature: 1.000000
Total energy: -508.701981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.701981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.761569 (E_RNA)
where:
Base-Base interactions energy: -363.320
where: short stacking energy: -146.481
Base-Backbone interact. energy: -1.219
local terms energy: -144.222351
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -40.422
Dist. restrs. and SS energy: 0.060 (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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -506.630706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.630706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.754195 (E_RNA)
where:
Base-Base interactions energy: -364.452
where: short stacking energy: -141.198
Base-Backbone interact. energy: -1.388
local terms energy: -140.913774
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -34.325
Dist. restrs. and SS energy: 0.123 (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: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -495.189391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.189391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.395181 (E_RNA)
where:
Base-Base interactions energy: -352.103
where: short stacking energy: -145.464
Base-Backbone interact. energy: -0.569
local terms energy: -142.722581
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -33.789
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.206 (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: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -472.696564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.696564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.036290 (E_RNA)
where:
Base-Base interactions energy: -337.499
where: short stacking energy: -133.439
Base-Backbone interact. energy: -0.603
local terms energy: -134.934240
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. 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: -444.439906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.439906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.734754 (E_RNA)
where:
Base-Base interactions energy: -308.469
where: short stacking energy: -123.756
Base-Backbone interact. energy: -0.321
local terms energy: -135.944238
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -33.264
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -454.559305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.559305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.855994 (E_RNA)
where:
Base-Base interactions energy: -330.315
where: short stacking energy: -131.167
Base-Backbone interact. energy: 0.673
local terms energy: -125.213587
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -33.702
Dist. restrs. and SS energy: 0.297 (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: 5
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -411.385141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.385141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.855496 (E_RNA)
where:
Base-Base interactions energy: -301.256
where: short stacking energy: -121.519
Base-Backbone interact. energy: -0.343
local terms energy: -110.256416
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -26.829
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -426.555099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.038154 (E_RNA)
where:
Base-Base interactions energy: -304.553
where: short stacking energy: -109.513
Base-Backbone interact. energy: -1.242
local terms energy: -122.243059
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -25.137
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -523.708433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.708433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.866627 (E_RNA)
where:
Base-Base interactions energy: -373.171
where: short stacking energy: -138.228
Base-Backbone interact. energy: -0.476
local terms energy: -150.219967
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -37.895
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -509.744754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.744754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.744754 (E_RNA)
where:
Base-Base interactions energy: -363.304
where: short stacking energy: -140.800
Base-Backbone interact. energy: 0.431
local terms energy: -146.871548
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -28.154
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -35.455
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -521.033469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.033469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.221492 (E_RNA)
where:
Base-Base interactions energy: -375.362
where: short stacking energy: -160.079
Base-Backbone interact. energy: -0.628
local terms energy: -145.230688
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -28.771
flat angles C4'-P-C4' energy: -29.663
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -41.260
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -495.134892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.134892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.290161 (E_RNA)
where:
Base-Base interactions energy: -353.540
where: short stacking energy: -129.151
Base-Backbone interact. energy: -0.364
local terms energy: -141.385985
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: -32.572
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -494.973221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.973221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.176509 (E_RNA)
where:
Base-Base interactions energy: -348.064
where: short stacking energy: -146.096
Base-Backbone interact. energy: -1.108
local terms energy: -146.004712
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -35.466
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -459.790849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.790849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.864201 (E_RNA)
where:
Base-Base interactions energy: -319.327
where: short stacking energy: -129.753
Base-Backbone interact. energy: -0.637
local terms energy: -139.900333
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -27.693
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -31.830
Dist. restrs. and SS energy: 0.073 (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: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -478.935131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.935131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.042788 (E_RNA)
where:
Base-Base interactions energy: -344.240
where: short stacking energy: -143.980
Base-Backbone interact. energy: -0.935
local terms energy: -133.867400
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -32.349
flat angles C4'-P-C4' energy: -29.165
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -31.171
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -422.630128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.630128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.023226 (E_RNA)
where:
Base-Base interactions energy: -302.004
where: short stacking energy: -120.215
Base-Backbone interact. energy: -0.528
local terms energy: -120.491072
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -30.427
Dist. restrs. and SS energy: 0.393 (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: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -438.149975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.149975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.262391 (E_RNA)
where:
Base-Base interactions energy: -316.124
where: short stacking energy: -125.876
Base-Backbone interact. energy: -2.540
local terms energy: -119.598724
where:
bonds (distance) C4'-P energy: -27.786
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -33.560
Dist. restrs. and SS energy: 0.112 (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: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -411.751023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.751023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.820174 (E_RNA)
where:
Base-Base interactions energy: -284.975
where: short stacking energy: -108.959
Base-Backbone interact. energy: -0.357
local terms energy: -129.488452
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -29.881
Dist. restrs. and SS energy: 3.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -538.270143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.270143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.399273 (E_RNA)
where:
Base-Base interactions energy: -378.528
where: short stacking energy: -159.581
Base-Backbone interact. energy: -1.742
local terms energy: -158.129901
where:
bonds (distance) C4'-P energy: -29.363
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -44.031
Dist. restrs. and SS energy: 0.129 (S_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: 190
Temperature: 0.950000
Total energy: -537.350060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.350060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.477717 (E_RNA)
where:
Base-Base interactions energy: -378.975
where: short stacking energy: -156.465
Base-Backbone interact. energy: -0.409
local terms energy: -158.094047
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -29.032
flat angles C4'-P-C4' energy: -31.998
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -41.822
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -513.572106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.671652 (E_RNA)
where:
Base-Base interactions energy: -367.226
where: short stacking energy: -148.038
Base-Backbone interact. energy: 2.665
local terms energy: -149.110427
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -34.604
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -492.570030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.570030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.729950 (E_RNA)
where:
Base-Base interactions energy: -359.594
where: short stacking energy: -136.877
Base-Backbone interact. energy: -0.833
local terms energy: -132.302693
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -32.940
Dist. restrs. and SS energy: 0.160 (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: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -484.367530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.367530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.406339 (E_RNA)
where:
Base-Base interactions energy: -343.011
where: short stacking energy: -128.521
Base-Backbone interact. energy: -1.085
local terms energy: -140.309907
where:
bonds (distance) C4'-P energy: -25.158
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -30.800
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -32.458
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -476.755281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.755281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.777514 (E_RNA)
where:
Base-Base interactions energy: -344.472
where: short stacking energy: -130.021
Base-Backbone interact. energy: -0.645
local terms energy: -131.660644
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -34.292
Dist. restrs. and SS energy: 0.022 (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: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -471.671164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.671164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.940140 (E_RNA)
where:
Base-Base interactions energy: -351.186
where: short stacking energy: -129.151
Base-Backbone interact. energy: -0.529
local terms energy: -120.225002
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -25.414
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -30.810
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -427.001015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.001015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.225521 (E_RNA)
where:
Base-Base interactions energy: -295.647
where: short stacking energy: -107.022
Base-Backbone interact. energy: -0.150
local terms energy: -131.427918
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -441.703620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.703620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.907647 (E_RNA)
where:
Base-Base interactions energy: -314.559
where: short stacking energy: -129.080
Base-Backbone interact. energy: -0.515
local terms energy: -126.832971
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -416.311265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.311265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.557479 (E_RNA)
where:
Base-Base interactions energy: -298.015
where: short stacking energy: -111.360
Base-Backbone interact. energy: -0.533
local terms energy: -118.009462
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -533.831381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.831381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.995972 (E_RNA)
where:
Base-Base interactions energy: -371.149
where: short stacking energy: -152.201
Base-Backbone interact. energy: -0.309
local terms energy: -162.538638
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -37.059
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -523.124716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.124716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.294790 (E_RNA)
where:
Base-Base interactions energy: -371.176
where: short stacking energy: -143.637
Base-Backbone interact. energy: -1.226
local terms energy: -150.893001
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -33.574
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -36.983
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -516.503481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.503481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.749808 (E_RNA)
where:
Base-Base interactions energy: -368.773
where: short stacking energy: -147.028
Base-Backbone interact. energy: -0.408
local terms energy: -147.568861
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -489.753404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.753404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.921332 (E_RNA)
where:
Base-Base interactions energy: -350.557
where: short stacking energy: -138.300
Base-Backbone interact. energy: -1.606
local terms energy: -137.759000
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -39.921
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -491.147385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.147385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.292254 (E_RNA)
where:
Base-Base interactions energy: -345.059
where: short stacking energy: -134.776
Base-Backbone interact. energy: -1.160
local terms energy: -145.073379
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -36.414
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -481.048296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.048296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.345863 (E_RNA)
where:
Base-Base interactions energy: -350.554
where: short stacking energy: -136.618
Base-Backbone interact. energy: 0.910
local terms energy: -131.701207
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.298 (S_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: 191
Temperature: 1.200000
Total energy: -464.695050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.695050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.024713 (E_RNA)
where:
Base-Base interactions energy: -322.942
where: short stacking energy: -120.317
Base-Backbone interact. energy: -0.741
local terms energy: -141.341783
where:
bonds (distance) C4'-P energy: -27.219
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -34.112
Dist. restrs. and SS energy: 0.330 (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: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -422.683175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.683175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.907979 (E_RNA)
where:
Base-Base interactions energy: -294.109
where: short stacking energy: -111.560
Base-Backbone interact. energy: -0.333
local terms energy: -128.465501
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -23.826
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -424.206454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.206454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.773008 (E_RNA)
where:
Base-Base interactions energy: -298.463
where: short stacking energy: -116.180
Base-Backbone interact. energy: 0.022
local terms energy: -126.332533
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.567 (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: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -425.732297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.732297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.226402 (E_RNA)
where:
Base-Base interactions energy: -299.788
where: short stacking energy: -112.453
Base-Backbone interact. energy: -0.160
local terms energy: -126.278741
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -22.341
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -524.469321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.469321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.579898 (E_RNA)
where:
Base-Base interactions energy: -369.782
where: short stacking energy: -152.720
Base-Backbone interact. energy: -1.172
local terms energy: -153.626201
where:
bonds (distance) C4'-P energy: -31.503
bonds (distance) P-C4' energy: -31.076
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -512.613963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.613963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.023232 (E_RNA)
where:
Base-Base interactions energy: -361.739
where: short stacking energy: -145.357
Base-Backbone interact. energy: -0.386
local terms energy: -150.898328
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -36.583
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: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -514.386964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.386964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.493312 (E_RNA)
where:
Base-Base interactions energy: -364.012
where: short stacking energy: -149.101
Base-Backbone interact. energy: -0.172
local terms energy: -150.309629
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -508.984874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.984874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.048967 (E_RNA)
where:
Base-Base interactions energy: -369.558
where: short stacking energy: -141.308
Base-Backbone interact. energy: -0.732
local terms energy: -138.759006
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -37.716
Dist. restrs. and SS energy: 0.064 (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: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -477.655775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.655775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.693674 (E_RNA)
where:
Base-Base interactions energy: -335.674
where: short stacking energy: -131.029
Base-Backbone interact. energy: -1.354
local terms energy: -140.665045
where:
bonds (distance) C4'-P energy: -24.373
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.038 (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: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -470.462208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.462208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.002405 (E_RNA)
where:
Base-Base interactions energy: -334.952
where: short stacking energy: -131.203
Base-Backbone interact. energy: -1.521
local terms energy: -134.529612
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -34.842
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -34.877
Dist. restrs. and SS energy: 0.540 (S_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: 192
Temperature: 1.200000
Total energy: -487.509555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.509555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.686030 (E_RNA)
where:
Base-Base interactions energy: -336.087
where: short stacking energy: -131.422
Base-Backbone interact. energy: -1.119
local terms energy: -150.479576
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -39.794
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -417.364539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.364539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.591558 (E_RNA)
where:
Base-Base interactions energy: -292.372
where: short stacking energy: -125.886
Base-Backbone interact. energy: -1.285
local terms energy: -123.934530
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -414.740931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.740931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.040465 (E_RNA)
where:
Base-Base interactions energy: -289.863
where: short stacking energy: -106.440
Base-Backbone interact. energy: -0.371
local terms energy: -124.806334
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -27.703
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.300 (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: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -409.913510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.913510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.435761 (E_RNA)
where:
Base-Base interactions energy: -284.162
where: short stacking energy: -110.534
Base-Backbone interact. energy: -1.040
local terms energy: -125.233500
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -531.388021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.388021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.540727 (E_RNA)
where:
Base-Base interactions energy: -375.294
where: short stacking energy: -157.670
Base-Backbone interact. energy: 0.334
local terms energy: -156.580718
where:
bonds (distance) C4'-P energy: -29.488
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -23.905
tors. eta vs tors. theta energy: -39.903
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -520.067083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.067083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.245406 (E_RNA)
where:
Base-Base interactions energy: -365.865
where: short stacking energy: -153.067
Base-Backbone interact. energy: -0.834
local terms energy: -153.546944
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -42.003
Dist. restrs. and SS energy: 0.178 (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: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -519.156902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.156902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.742122 (E_RNA)
where:
Base-Base interactions energy: -366.077
where: short stacking energy: -136.529
Base-Backbone interact. energy: -1.349
local terms energy: -152.315838
where:
bonds (distance) C4'-P energy: -31.361
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -39.983
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: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -516.513735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.513735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.651291 (E_RNA)
where:
Base-Base interactions energy: -372.478
where: short stacking energy: -151.107
Base-Backbone interact. energy: -0.421
local terms energy: -143.752195
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -26.715
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.138 (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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -480.058953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.058953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.360042 (E_RNA)
where:
Base-Base interactions energy: -349.951
where: short stacking energy: -141.772
Base-Backbone interact. energy: 2.415
local terms energy: -132.823934
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -31.741
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -482.187555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.187555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.284935 (E_RNA)
where:
Base-Base interactions energy: -343.571
where: short stacking energy: -135.928
Base-Backbone interact. energy: 0.375
local terms energy: -139.088848
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -27.082
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -30.521
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -486.219966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.219966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.760781 (E_RNA)
where:
Base-Base interactions energy: -340.693
where: short stacking energy: -128.556
Base-Backbone interact. energy: 0.714
local terms energy: -146.781833
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: -36.118
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -422.253375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.253375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.614130 (E_RNA)
where:
Base-Base interactions energy: -295.332
where: short stacking energy: -111.586
Base-Backbone interact. energy: -0.308
local terms energy: -126.974217
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -32.932
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -29.074
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -419.290207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.290207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.440817 (E_RNA)
where:
Base-Base interactions energy: -301.485
where: short stacking energy: -116.648
Base-Backbone interact. energy: -0.298
local terms energy: -117.657706
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -30.285
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -408.552396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.552396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.036133 (E_RNA)
where:
Base-Base interactions energy: -301.692
where: short stacking energy: -112.409
Base-Backbone interact. energy: -0.366
local terms energy: -106.978603
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.484 (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: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -528.412968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.412968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.162701 (E_RNA)
where:
Base-Base interactions energy: -361.883
where: short stacking energy: -156.872
Base-Backbone interact. energy: -2.244
local terms energy: -165.035653
where:
bonds (distance) C4'-P energy: -27.847
bonds (distance) P-C4' energy: -33.589
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.750 (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: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -517.995098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.995098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.214673 (E_RNA)
where:
Base-Base interactions energy: -370.217
where: short stacking energy: -141.844
Base-Backbone interact. energy: 0.966
local terms energy: -148.962988
where:
bonds (distance) C4'-P energy: -34.471
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -29.951
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -36.403
Dist. restrs. and SS energy: 0.220 (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: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -517.956094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.956094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.102378 (E_RNA)
where:
Base-Base interactions energy: -373.676
where: short stacking energy: -148.471
Base-Backbone interact. energy: -0.071
local terms energy: -144.355117
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -39.748
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -499.020690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.020690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.263452 (E_RNA)
where:
Base-Base interactions energy: -354.252
where: short stacking energy: -137.348
Base-Backbone interact. energy: -0.238
local terms energy: -144.772776
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -32.772
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -35.478
Dist. restrs. and SS energy: 0.243 (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: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -497.211925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.211925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.397964 (E_RNA)
where:
Base-Base interactions energy: -344.775
where: short stacking energy: -141.804
Base-Backbone interact. energy: -0.898
local terms energy: -151.725036
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -33.567
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -38.789
Dist. restrs. and SS energy: 0.186 (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: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -478.668967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.668967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.046586 (E_RNA)
where:
Base-Base interactions energy: -349.937
where: short stacking energy: -143.889
Base-Backbone interact. energy: -1.347
local terms energy: -127.761826
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -32.366
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -465.995644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.995644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.314075 (E_RNA)
where:
Base-Base interactions energy: -321.222
where: short stacking energy: -137.617
Base-Backbone interact. energy: -0.704
local terms energy: -144.387995
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -442.524001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.524001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.948191 (E_RNA)
where:
Base-Base interactions energy: -315.475
where: short stacking energy: -126.895
Base-Backbone interact. energy: -1.104
local terms energy: -126.369404
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -28.158
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -32.170
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -403.751465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.751465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.123800 (E_RNA)
where:
Base-Base interactions energy: -297.001
where: short stacking energy: -110.193
Base-Backbone interact. energy: 8.020
local terms energy: -115.143276
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -427.041455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.041455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.626877 (E_RNA)
where:
Base-Base interactions energy: -286.709
where: short stacking energy: -108.305
Base-Backbone interact. energy: -0.635
local terms energy: -140.282739
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -30.400
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: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -537.179789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.179789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.504488 (E_RNA)
where:
Base-Base interactions energy: -382.787
where: short stacking energy: -158.367
Base-Backbone interact. energy: -0.351
local terms energy: -154.366361
where:
bonds (distance) C4'-P energy: -33.819
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -37.175
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -521.958077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.958077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.341150 (E_RNA)
where:
Base-Base interactions energy: -365.007
where: short stacking energy: -158.773
Base-Backbone interact. energy: 0.239
local terms energy: -157.572949
where:
bonds (distance) C4'-P energy: -29.274
bonds (distance) P-C4' energy: -30.384
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -42.902
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -527.877799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.877799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.982710 (E_RNA)
where:
Base-Base interactions energy: -377.913
where: short stacking energy: -142.601
Base-Backbone interact. energy: -0.341
local terms energy: -149.729225
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -30.613
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -41.002
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -503.318626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.318626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.081066 (E_RNA)
where:
Base-Base interactions energy: -348.219
where: short stacking energy: -142.935
Base-Backbone interact. energy: -1.245
local terms energy: -154.616663
where:
bonds (distance) C4'-P energy: -30.903
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -38.835
Dist. restrs. and SS energy: 0.762 (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: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -493.640110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.640110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.894851 (E_RNA)
where:
Base-Base interactions energy: -346.406
where: short stacking energy: -139.336
Base-Backbone interact. energy: -1.133
local terms energy: -146.355980
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -40.766
Dist. restrs. and SS energy: 0.255 (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: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -482.862459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.862459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.116349 (E_RNA)
where:
Base-Base interactions energy: -345.051
where: short stacking energy: -125.057
Base-Backbone interact. energy: -1.033
local terms energy: -137.032545
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.254 (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: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -449.240635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.240635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.062185 (E_RNA)
where:
Base-Base interactions energy: -332.958
where: short stacking energy: -131.369
Base-Backbone interact. energy: -0.840
local terms energy: -116.264358
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -26.956
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -441.746855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.746855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.116718 (E_RNA)
where:
Base-Base interactions energy: -302.282
where: short stacking energy: -121.845
Base-Backbone interact. energy: 1.123
local terms energy: -140.957713
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -30.860
flat angles P-C4'-P energy: -18.733
tors. eta vs tors. theta energy: -37.398
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -439.451783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.451783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.933707 (E_RNA)
where:
Base-Base interactions energy: -313.585
where: short stacking energy: -119.819
Base-Backbone interact. energy: -0.393
local terms energy: -125.956244
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -31.266
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -411.291716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.291716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.926581 (E_RNA)
where:
Base-Base interactions energy: -310.240
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.486
local terms energy: -101.200138
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -543.500687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.500687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.774976 (E_RNA)
where:
Base-Base interactions energy: -377.391
where: short stacking energy: -155.017
Base-Backbone interact. energy: -0.077
local terms energy: -166.306775
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -34.106
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -45.034
Dist. restrs. and SS energy: 0.274 (S_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: 196
Temperature: 0.950000
Total energy: -525.220103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.220103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.452182 (E_RNA)
where:
Base-Base interactions energy: -369.574
where: short stacking energy: -149.759
Base-Backbone interact. energy: -0.119
local terms energy: -155.758711
where:
bonds (distance) C4'-P energy: -29.929
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -40.789
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -514.318639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.318639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.665694 (E_RNA)
where:
Base-Base interactions energy: -363.804
where: short stacking energy: -155.605
Base-Backbone interact. energy: -0.541
local terms energy: -150.320740
where:
bonds (distance) C4'-P energy: -32.922
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -41.612
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -506.861647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.861647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.035224 (E_RNA)
where:
Base-Base interactions energy: -355.398
where: short stacking energy: -143.157
Base-Backbone interact. energy: -1.019
local terms energy: -150.618105
where:
bonds (distance) C4'-P energy: -28.001
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -497.610249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.610249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.818904 (E_RNA)
where:
Base-Base interactions energy: -351.610
where: short stacking energy: -151.057
Base-Backbone interact. energy: 2.068
local terms energy: -148.276541
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -32.067
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -44.603
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -466.292561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.292561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.582148 (E_RNA)
where:
Base-Base interactions energy: -332.026
where: short stacking energy: -134.958
Base-Backbone interact. energy: -0.406
local terms energy: -134.149977
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -30.038
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -474.530568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.530568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.139558 (E_RNA)
where:
Base-Base interactions energy: -339.671
where: short stacking energy: -144.502
Base-Backbone interact. energy: -0.611
local terms energy: -134.858344
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -31.213
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -34.960
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: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -440.313817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.313817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.681223 (E_RNA)
where:
Base-Base interactions energy: -311.065
where: short stacking energy: -124.976
Base-Backbone interact. energy: -0.223
local terms energy: -129.392743
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 0.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -422.384776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.384776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.684120 (E_RNA)
where:
Base-Base interactions energy: -315.046
where: short stacking energy: -133.372
Base-Backbone interact. energy: -1.062
local terms energy: -106.576323
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -36.982
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: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -418.946087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.946087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.492113 (E_RNA)
where:
Base-Base interactions energy: -301.009
where: short stacking energy: -115.464
Base-Backbone interact. energy: -1.168
local terms energy: -117.314716
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -544.550884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.550884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.642847 (E_RNA)
where:
Base-Base interactions energy: -385.665
where: short stacking energy: -155.203
Base-Backbone interact. energy: -0.116
local terms energy: -158.861699
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -37.557
Dist. restrs. and SS energy: 0.092 (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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -531.357556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.357556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.555983 (E_RNA)
where:
Base-Base interactions energy: -379.915
where: short stacking energy: -153.731
Base-Backbone interact. energy: -0.679
local terms energy: -150.962026
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -43.864
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -503.981944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.981944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.014131 (E_RNA)
where:
Base-Base interactions energy: -357.509
where: short stacking energy: -151.292
Base-Backbone interact. energy: -1.020
local terms energy: -145.484836
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -36.634
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -502.254499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.254499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.890388 (E_RNA)
where:
Base-Base interactions energy: -351.138
where: short stacking energy: -131.781
Base-Backbone interact. energy: -0.714
local terms energy: -151.038066
where:
bonds (distance) C4'-P energy: -26.907
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -35.632
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -38.736
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: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -483.869778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.869778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.075713 (E_RNA)
where:
Base-Base interactions energy: -338.993
where: short stacking energy: -140.864
Base-Backbone interact. energy: -1.123
local terms energy: -143.960400
where:
bonds (distance) C4'-P energy: -28.201
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -34.772
Dist. restrs. and SS energy: 0.206 (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: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -484.256349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.256349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.510324 (E_RNA)
where:
Base-Base interactions energy: -352.226
where: short stacking energy: -138.184
Base-Backbone interact. energy: -0.358
local terms energy: -131.926467
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.695
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -38.699
Dist. restrs. and SS energy: 0.254 (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: 197
Temperature: 1.200000
Total energy: -457.466030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.466030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.773434 (E_RNA)
where:
Base-Base interactions energy: -332.959
where: short stacking energy: -120.775
Base-Backbone interact. energy: 0.875
local terms energy: -125.688583
where:
bonds (distance) C4'-P energy: -23.255
bonds (distance) P-C4' energy: -22.522
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -433.423536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.423536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.876033 (E_RNA)
where:
Base-Base interactions energy: -293.319
where: short stacking energy: -109.437
Base-Backbone interact. energy: -0.272
local terms energy: -140.284659
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -29.753
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -435.378938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.378938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.788803 (E_RNA)
where:
Base-Base interactions energy: -301.183
where: short stacking energy: -121.988
Base-Backbone interact. energy: -0.229
local terms energy: -134.376834
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -31.190
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -422.911358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.911358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.225085 (E_RNA)
where:
Base-Base interactions energy: -314.103
where: short stacking energy: -122.764
Base-Backbone interact. energy: 0.844
local terms energy: -109.965612
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -30.906
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -538.435844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.435844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.473963 (E_RNA)
where:
Base-Base interactions energy: -372.930
where: short stacking energy: -158.114
Base-Backbone interact. energy: -0.663
local terms energy: -164.881189
where:
bonds (distance) C4'-P energy: -32.233
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -38.171
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -530.038284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.038284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.135719 (E_RNA)
where:
Base-Base interactions energy: -372.172
where: short stacking energy: -155.559
Base-Backbone interact. energy: -0.708
local terms energy: -157.255897
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -30.715
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -40.752
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -505.915149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.915149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.120928 (E_RNA)
where:
Base-Base interactions energy: -352.243
where: short stacking energy: -139.423
Base-Backbone interact. energy: -0.766
local terms energy: -154.111109
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -36.007
Dist. restrs. and SS energy: 1.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -494.205347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.205347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.837530 (E_RNA)
where:
Base-Base interactions energy: -350.683
where: short stacking energy: -138.975
Base-Backbone interact. energy: 1.324
local terms energy: -145.478366
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -24.887
flat angles C4'-P-C4' energy: -33.212
flat angles P-C4'-P energy: -24.343
tors. eta vs tors. theta energy: -33.377
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -485.810125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.810125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.203995 (E_RNA)
where:
Base-Base interactions energy: -352.418
where: short stacking energy: -142.223
Base-Backbone interact. energy: -0.883
local terms energy: -132.902691
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -26.652
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -39.507
Dist. restrs. and SS energy: 0.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -473.797674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.797674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.808811 (E_RNA)
where:
Base-Base interactions energy: -344.499
where: short stacking energy: -128.308
Base-Backbone interact. energy: 1.416
local terms energy: -130.725807
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -31.808
Dist. restrs. and SS energy: 0.011 (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: 198
Temperature: 1.200000
Total energy: -435.750362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.750362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.763180 (E_RNA)
where:
Base-Base interactions energy: -309.892
where: short stacking energy: -125.725
Base-Backbone interact. energy: 1.290
local terms energy: -128.161439
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -30.522
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: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -456.540370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.540370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.711711 (E_RNA)
where:
Base-Base interactions energy: -332.092
where: short stacking energy: -128.254
Base-Backbone interact. energy: -0.478
local terms energy: -124.141780
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -449.759303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.759303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.967248 (E_RNA)
where:
Base-Base interactions energy: -325.278
where: short stacking energy: -124.193
Base-Backbone interact. energy: -0.421
local terms energy: -124.268614
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -20.912
tors. eta vs tors. theta energy: -34.102
Dist. restrs. and SS energy: 0.208 (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: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -416.674498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.200688 (E_RNA)
where:
Base-Base interactions energy: -292.111
where: short stacking energy: -111.718
Base-Backbone interact. energy: -0.885
local terms energy: -124.204840
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -530.391511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.391511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.675009 (E_RNA)
where:
Base-Base interactions energy: -373.172
where: short stacking energy: -156.832
Base-Backbone interact. energy: -0.727
local terms energy: -156.775857
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -43.973
Dist. restrs. and SS energy: 0.283 (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: 199
Temperature: 0.950000
Total energy: -533.981457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.190540 (E_RNA)
where:
Base-Base interactions energy: -373.221
where: short stacking energy: -156.694
Base-Backbone interact. energy: -0.245
local terms energy: -160.724923
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -508.981780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.981780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.379480 (E_RNA)
where:
Base-Base interactions energy: -364.044
where: short stacking energy: -148.977
Base-Backbone interact. energy: 0.003
local terms energy: -145.338965
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -24.443
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -37.064
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -507.528982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.528982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.640869 (E_RNA)
where:
Base-Base interactions energy: -355.388
where: short stacking energy: -140.411
Base-Backbone interact. energy: -0.717
local terms energy: -151.535634
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -25.782
tors. eta vs tors. theta energy: -38.304
Dist. restrs. and SS energy: 0.112 (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: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -485.129160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.129160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.545634 (E_RNA)
where:
Base-Base interactions energy: -342.267
where: short stacking energy: -127.391
Base-Backbone interact. energy: -2.077
local terms energy: -141.202457
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -35.184
Dist. restrs. and SS energy: 0.416 (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: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -462.137371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.137371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.145201 (E_RNA)
where:
Base-Base interactions energy: -328.287
where: short stacking energy: -140.696
Base-Backbone interact. energy: -0.334
local terms energy: -136.524319
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -35.140
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: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -464.167120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.167120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.579633 (E_RNA)
where:
Base-Base interactions energy: -335.631
where: short stacking energy: -138.818
Base-Backbone interact. energy: -0.885
local terms energy: -128.063010
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -30.721
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -30.557
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -455.830317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.830317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.255975 (E_RNA)
where:
Base-Base interactions energy: -331.671
where: short stacking energy: -125.568
Base-Backbone interact. energy: 0.936
local terms energy: -125.520527
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -36.690
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -447.342911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.342911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.573734 (E_RNA)
where:
Base-Base interactions energy: -325.605
where: short stacking energy: -125.883
Base-Backbone interact. energy: -0.884
local terms energy: -121.084786
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -31.598
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -401.053888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.053888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.768939 (E_RNA)
where:
Base-Base interactions energy: -280.874
where: short stacking energy: -111.042
Base-Backbone interact. energy: -1.288
local terms energy: -119.606411
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.715 (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: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -541.064205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.064205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.204748 (E_RNA)
where:
Base-Base interactions energy: -377.502
where: short stacking energy: -150.060
Base-Backbone interact. energy: -0.329
local terms energy: -163.373527
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -39.918
Dist. restrs. and SS energy: 0.141 (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: 200
Temperature: 0.950000
Total energy: -525.041701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.041701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.147645 (E_RNA)
where:
Base-Base interactions energy: -379.855
where: short stacking energy: -158.128
Base-Backbone interact. energy: -0.770
local terms energy: -144.522396
where:
bonds (distance) C4'-P energy: -29.651
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -36.589
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -490.766218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.766218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.946345 (E_RNA)
where:
Base-Base interactions energy: -344.100
where: short stacking energy: -149.029
Base-Backbone interact. energy: -0.519
local terms energy: -146.327462
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -32.651
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.180 (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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -509.246058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.246058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.649831 (E_RNA)
where:
Base-Base interactions energy: -365.942
where: short stacking energy: -145.206
Base-Backbone interact. energy: -0.306
local terms energy: -143.401890
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -24.947
flat angles P-C4'-P energy: -17.952
tors. eta vs tors. theta energy: -42.595
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -490.981273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.981273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.577129 (E_RNA)
where:
Base-Base interactions energy: -352.389
where: short stacking energy: -141.193
Base-Backbone interact. energy: 0.440
local terms energy: -139.628444
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -25.920
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -36.315
Dist. restrs. and SS energy: 0.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -467.843864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.843864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.428150 (E_RNA)
where:
Base-Base interactions energy: -343.145
where: short stacking energy: -136.767
Base-Backbone interact. energy: -0.536
local terms energy: -126.747050
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -29.197
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -33.857
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -456.909566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.909566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.001686 (E_RNA)
where:
Base-Base interactions energy: -342.773
where: short stacking energy: -142.168
Base-Backbone interact. energy: 1.862
local terms energy: -116.090491
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -35.856
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -450.518828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.518828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.958001 (E_RNA)
where:
Base-Base interactions energy: -318.209
where: short stacking energy: -129.982
Base-Backbone interact. energy: -0.806
local terms energy: -131.943139
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -32.345
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -433.101640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.101640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.309131 (E_RNA)
where:
Base-Base interactions energy: -304.594
where: short stacking energy: -127.503
Base-Backbone interact. energy: 0.020
local terms energy: -128.735915
where:
bonds (distance) C4'-P energy: -24.191
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -27.430
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -427.127302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.618150 (E_RNA)
where:
Base-Base interactions energy: -305.936
where: short stacking energy: -109.233
Base-Backbone interact. energy: -0.638
local terms energy: -121.043190
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.491 (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: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -546.475093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.475093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.557889 (E_RNA)
where:
Base-Base interactions energy: -386.673
where: short stacking energy: -161.773
Base-Backbone interact. energy: 0.454
local terms energy: -160.338615
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -41.877
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -517.182626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.182626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.513796 (E_RNA)
where:
Base-Base interactions energy: -361.198
where: short stacking energy: -153.243
Base-Backbone interact. energy: 1.317
local terms energy: -157.633404
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.331 (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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -518.080654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.080654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.431125 (E_RNA)
where:
Base-Base interactions energy: -369.806
where: short stacking energy: -150.549
Base-Backbone interact. energy: -0.875
local terms energy: -147.749417
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -37.742
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: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -489.307564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.307564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.601574 (E_RNA)
where:
Base-Base interactions energy: -355.905
where: short stacking energy: -147.060
Base-Backbone interact. energy: -0.878
local terms energy: -132.818957
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -34.400
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -484.447131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.447131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.209977 (E_RNA)
where:
Base-Base interactions energy: -344.945
where: short stacking energy: -139.242
Base-Backbone interact. energy: -0.834
local terms energy: -139.431284
where:
bonds (distance) C4'-P energy: -26.062
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -34.986
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -473.979507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.979507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.140575 (E_RNA)
where:
Base-Base interactions energy: -332.005
where: short stacking energy: -137.512
Base-Backbone interact. energy: -1.829
local terms energy: -140.306523
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -40.954
Dist. restrs. and SS energy: 0.161 (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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -447.160906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.160906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.187117 (E_RNA)
where:
Base-Base interactions energy: -322.341
where: short stacking energy: -126.524
Base-Backbone interact. energy: -0.546
local terms energy: -129.299994
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -30.953
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -33.602
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: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -443.158635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.158635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.371345 (E_RNA)
where:
Base-Base interactions energy: -302.814
where: short stacking energy: -119.428
Base-Backbone interact. energy: -0.126
local terms energy: -140.432082
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -33.656
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -434.398989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.398989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.772664 (E_RNA)
where:
Base-Base interactions energy: -323.456
where: short stacking energy: -124.092
Base-Backbone interact. energy: -1.292
local terms energy: -110.025062
where:
bonds (distance) C4'-P energy: -5.826
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -29.202
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: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -445.719261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.719261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.182326 (E_RNA)
where:
Base-Base interactions energy: -317.289
where: short stacking energy: -120.583
Base-Backbone interact. energy: 2.175
local terms energy: -131.068730
where:
bonds (distance) C4'-P energy: -23.599
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -30.359
Dist. restrs. and SS energy: 0.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -544.434465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.434465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.535859 (E_RNA)
where:
Base-Base interactions energy: -388.334
where: short stacking energy: -154.884
Base-Backbone interact. energy: -0.337
local terms energy: -155.864645
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -506.970929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.970929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.109283 (E_RNA)
where:
Base-Base interactions energy: -366.891
where: short stacking energy: -154.942
Base-Backbone interact. energy: -0.381
local terms energy: -139.837403
where:
bonds (distance) C4'-P energy: -24.450
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -27.634
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -511.527897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.527897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.719840 (E_RNA)
where:
Base-Base interactions energy: -369.807
where: short stacking energy: -149.772
Base-Backbone interact. energy: -0.757
local terms energy: -141.154948
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -37.747
Dist. restrs. and SS energy: 0.192 (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: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -499.007783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.007783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.475035 (E_RNA)
where:
Base-Base interactions energy: -370.649
where: short stacking energy: -134.435
Base-Backbone interact. energy: -0.496
local terms energy: -128.330102
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -22.629
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -35.103
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -484.241843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.241843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.742330 (E_RNA)
where:
Base-Base interactions energy: -334.884
where: short stacking energy: -139.315
Base-Backbone interact. energy: -0.312
local terms energy: -149.546266
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -33.592
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -459.098701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.098701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.255292 (E_RNA)
where:
Base-Base interactions energy: -330.843
where: short stacking energy: -135.126
Base-Backbone interact. energy: -0.450
local terms energy: -128.962364
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -37.860
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: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -446.696012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.696012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.799897 (E_RNA)
where:
Base-Base interactions energy: -331.593
where: short stacking energy: -133.476
Base-Backbone interact. energy: -0.441
local terms energy: -114.765141
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -433.444910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.444910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.596873 (E_RNA)
where:
Base-Base interactions energy: -310.759
where: short stacking energy: -119.679
Base-Backbone interact. energy: -0.572
local terms energy: -122.265403
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.152 (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: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -468.597966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.597966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.650779 (E_RNA)
where:
Base-Base interactions energy: -331.183
where: short stacking energy: -131.342
Base-Backbone interact. energy: -1.122
local terms energy: -136.345117
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -28.400
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -31.309
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -433.885896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.885896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.203947 (E_RNA)
where:
Base-Base interactions energy: -306.813
where: short stacking energy: -120.245
Base-Backbone interact. energy: -0.158
local terms energy: -127.233173
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -33.337
Dist. restrs. and SS energy: 0.318 (S_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: 203
Temperature: 0.900000
Total energy: -548.286047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.286047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.737008 (E_RNA)
where:
Base-Base interactions energy: -388.053
where: short stacking energy: -160.651
Base-Backbone interact. energy: 0.751
local terms energy: -161.435071
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -30.184
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -40.273
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -526.870518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.870518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.930422 (E_RNA)
where:
Base-Base interactions energy: -376.985
where: short stacking energy: -158.760
Base-Backbone interact. energy: -1.106
local terms energy: -148.839313
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -32.648
flat angles C4'-P-C4' energy: -33.846
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -42.975
Dist. restrs. and SS energy: 0.060 (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: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -511.541627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.541627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.925951 (E_RNA)
where:
Base-Base interactions energy: -354.705
where: short stacking energy: -144.297
Base-Backbone interact. energy: -0.509
local terms energy: -156.712386
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -40.911
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -512.505101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.505101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.169329 (E_RNA)
where:
Base-Base interactions energy: -370.084
where: short stacking energy: -156.450
Base-Backbone interact. energy: -2.613
local terms energy: -140.472960
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -43.567
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: 203
Temperature: 1.100000
Total energy: -488.480850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.480850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.695205 (E_RNA)
where:
Base-Base interactions energy: -340.308
where: short stacking energy: -132.858
Base-Backbone interact. energy: -0.708
local terms energy: -147.679291
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -36.342
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -36.704
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -453.101311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.101311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.262041 (E_RNA)
where:
Base-Base interactions energy: -328.017
where: short stacking energy: -124.808
Base-Backbone interact. energy: 0.231
local terms energy: -125.476139
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -32.165
Dist. restrs. and SS energy: 0.161 (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: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -454.476678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.476678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.445782 (E_RNA)
where:
Base-Base interactions energy: -324.488
where: short stacking energy: -135.238
Base-Backbone interact. energy: -0.369
local terms energy: -133.589246
where:
bonds (distance) C4'-P energy: -22.671
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -38.256
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: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -458.528394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.528394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.675730 (E_RNA)
where:
Base-Base interactions energy: -329.224
where: short stacking energy: -127.961
Base-Backbone interact. energy: -0.826
local terms energy: -128.625272
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -24.532
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -442.051287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.051287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.224270 (E_RNA)
where:
Base-Base interactions energy: -307.311
where: short stacking energy: -117.580
Base-Backbone interact. energy: 0.929
local terms energy: -135.842506
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -32.859
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -29.747
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -438.483406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.483406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.366784 (E_RNA)
where:
Base-Base interactions energy: -308.687
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.855
local terms energy: -129.824909
where:
bonds (distance) C4'-P energy: -24.065
bonds (distance) P-C4' energy: -32.700
flat angles C4'-P-C4' energy: -25.928
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -36.537
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: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -538.995964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.995964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.042042 (E_RNA)
where:
Base-Base interactions energy: -375.178
where: short stacking energy: -153.321
Base-Backbone interact. energy: -0.521
local terms energy: -163.342712
where:
bonds (distance) C4'-P energy: -30.681
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -41.417
Dist. restrs. and SS energy: 0.046 (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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -520.769985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.769985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.808998 (E_RNA)
where:
Base-Base interactions energy: -368.189
where: short stacking energy: -157.657
Base-Backbone interact. energy: -0.641
local terms energy: -151.978301
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -39.507
Dist. restrs. and SS energy: 0.039 (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: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -518.021525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.021525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.296495 (E_RNA)
where:
Base-Base interactions energy: -366.797
where: short stacking energy: -155.453
Base-Backbone interact. energy: -0.381
local terms energy: -151.118728
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -45.547
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -500.469554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.469554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.496909 (E_RNA)
where:
Base-Base interactions energy: -356.940
where: short stacking energy: -150.089
Base-Backbone interact. energy: -0.549
local terms energy: -143.008329
where:
bonds (distance) C4'-P energy: -26.663
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -38.147
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -502.752507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.752507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.915744 (E_RNA)
where:
Base-Base interactions energy: -366.464
where: short stacking energy: -150.360
Base-Backbone interact. energy: 1.140
local terms energy: -137.591985
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -35.708
Dist. restrs. and SS energy: 0.163 (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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -437.876004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.876004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.251842 (E_RNA)
where:
Base-Base interactions energy: -314.968
where: short stacking energy: -127.274
Base-Backbone interact. energy: -0.713
local terms energy: -122.570860
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -35.289
Dist. restrs. and SS energy: 0.376 (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: 204
Temperature: 1.200000
Total energy: -483.414737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.414737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.538226 (E_RNA)
where:
Base-Base interactions energy: -344.352
where: short stacking energy: -130.074
Base-Backbone interact. energy: -1.027
local terms energy: -138.159538
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -36.101
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -453.678026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.678026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.287142 (E_RNA)
where:
Base-Base interactions energy: -329.581
where: short stacking energy: -129.187
Base-Backbone interact. energy: 0.292
local terms energy: -124.998684
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -25.310
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -28.453
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: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -436.820650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.820650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.123398 (E_RNA)
where:
Base-Base interactions energy: -314.556
where: short stacking energy: -126.043
Base-Backbone interact. energy: -0.995
local terms energy: -121.571988
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -29.626
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -415.374186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.374186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.600686 (E_RNA)
where:
Base-Base interactions energy: -285.268
where: short stacking energy: -112.024
Base-Backbone interact. energy: -0.842
local terms energy: -129.490498
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -29.144
Dist. restrs. and SS energy: 0.226 (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: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -531.475405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.475405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.502699 (E_RNA)
where:
Base-Base interactions energy: -374.523
where: short stacking energy: -157.334
Base-Backbone interact. energy: -2.687
local terms energy: -154.292846
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -21.059
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.027 (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: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -536.262193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.262193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.486864 (E_RNA)
where:
Base-Base interactions energy: -375.931
where: short stacking energy: -171.913
Base-Backbone interact. energy: 0.568
local terms energy: -161.124502
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -42.739
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -518.027266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.027266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.142482 (E_RNA)
where:
Base-Base interactions energy: -362.657
where: short stacking energy: -151.098
Base-Backbone interact. energy: -0.544
local terms energy: -154.941163
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -43.650
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -501.209226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.209226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.290607 (E_RNA)
where:
Base-Base interactions energy: -351.578
where: short stacking energy: -139.387
Base-Backbone interact. energy: -0.579
local terms energy: -150.133354
where:
bonds (distance) C4'-P energy: -29.945
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -40.764
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: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -495.301286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.656862 (E_RNA)
where:
Base-Base interactions energy: -349.906
where: short stacking energy: -138.767
Base-Backbone interact. energy: -0.597
local terms energy: -145.153297
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -464.294697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.294697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.452628 (E_RNA)
where:
Base-Base interactions energy: -327.404
where: short stacking energy: -128.093
Base-Backbone interact. energy: -0.564
local terms energy: -136.485336
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -439.540084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.540084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.590379 (E_RNA)
where:
Base-Base interactions energy: -321.059
where: short stacking energy: -127.015
Base-Backbone interact. energy: 0.692
local terms energy: -119.223812
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -28.829
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -455.048293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.048293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.222693 (E_RNA)
where:
Base-Base interactions energy: -329.959
where: short stacking energy: -132.299
Base-Backbone interact. energy: -0.965
local terms energy: -124.297867
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.174 (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: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -438.679644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.679644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.176568 (E_RNA)
where:
Base-Base interactions energy: -312.201
where: short stacking energy: -115.832
Base-Backbone interact. energy: -0.149
local terms energy: -126.825867
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -32.250
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: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -415.437723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.437723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.782502 (E_RNA)
where:
Base-Base interactions energy: -300.211
where: short stacking energy: -118.310
Base-Backbone interact. energy: -0.614
local terms energy: -114.958171
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -24.861
Dist. restrs. and SS energy: 0.345 (S_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: 206
Temperature: 0.900000
Total energy: -531.782044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.782044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.142527 (E_RNA)
where:
Base-Base interactions energy: -380.838
where: short stacking energy: -146.937
Base-Backbone interact. energy: -1.131
local terms energy: -150.173487
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -522.662401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.662401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.786408 (E_RNA)
where:
Base-Base interactions energy: -360.658
where: short stacking energy: -151.469
Base-Backbone interact. energy: -0.836
local terms energy: -161.291728
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -34.160
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -25.139
tors. eta vs tors. theta energy: -43.982
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -512.403816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.403816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.655911 (E_RNA)
where:
Base-Base interactions energy: -360.691
where: short stacking energy: -139.578
Base-Backbone interact. energy: -1.127
local terms energy: -150.837756
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -20.108
tors. eta vs tors. theta energy: -36.482
Dist. restrs. and SS energy: 0.252 (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: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -515.382059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.382059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.575433 (E_RNA)
where:
Base-Base interactions energy: -365.082
where: short stacking energy: -148.369
Base-Backbone interact. energy: -0.513
local terms energy: -149.979983
where:
bonds (distance) C4'-P energy: -32.227
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -496.348651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.348651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.551825 (E_RNA)
where:
Base-Base interactions energy: -348.136
where: short stacking energy: -152.011
Base-Backbone interact. energy: -0.555
local terms energy: -147.860751
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -40.871
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -454.566951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.566951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.800540 (E_RNA)
where:
Base-Base interactions energy: -329.544
where: short stacking energy: -124.632
Base-Backbone interact. energy: -0.964
local terms energy: -124.292959
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -467.199566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.199566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.353346 (E_RNA)
where:
Base-Base interactions energy: -330.345
where: short stacking energy: -137.371
Base-Backbone interact. energy: -0.325
local terms energy: -136.682611
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -28.239
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -37.981
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -424.541957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.541957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.982968 (E_RNA)
where:
Base-Base interactions energy: -297.004
where: short stacking energy: -113.332
Base-Backbone interact. energy: -0.311
local terms energy: -127.667906
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -28.647
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -419.826666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.826666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.690321 (E_RNA)
where:
Base-Base interactions energy: -300.224
where: short stacking energy: -113.098
Base-Backbone interact. energy: 2.376
local terms energy: -122.842590
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -19.652
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -443.547671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.547671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.136846 (E_RNA)
where:
Base-Base interactions energy: -317.965
where: short stacking energy: -124.549
Base-Backbone interact. energy: -0.560
local terms energy: -125.612271
where:
bonds (distance) C4'-P energy: -22.549
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -27.190
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -533.299871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.299871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.410966 (E_RNA)
where:
Base-Base interactions energy: -372.144
where: short stacking energy: -156.056
Base-Backbone interact. energy: -0.368
local terms energy: -160.898354
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -42.543
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -518.951683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.951683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.074664 (E_RNA)
where:
Base-Base interactions energy: -370.788
where: short stacking energy: -151.406
Base-Backbone interact. energy: -0.273
local terms energy: -148.013673
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.123 (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: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -514.975785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.975785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.059364 (E_RNA)
where:
Base-Base interactions energy: -372.730
where: short stacking energy: -149.532
Base-Backbone interact. energy: 1.084
local terms energy: -143.413857
where:
bonds (distance) C4'-P energy: -28.160
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -42.994
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -515.675477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.675477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.789057 (E_RNA)
where:
Base-Base interactions energy: -357.441
where: short stacking energy: -151.022
Base-Backbone interact. energy: -0.499
local terms energy: -157.848749
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -490.661339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.661339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.751495 (E_RNA)
where:
Base-Base interactions energy: -342.333
where: short stacking energy: -140.097
Base-Backbone interact. energy: -0.449
local terms energy: -147.970007
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -35.652
Dist. restrs. and SS energy: 0.090 (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: 207
Temperature: 1.150000
Total energy: -488.572146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.572146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.664980 (E_RNA)
where:
Base-Base interactions energy: -342.345
where: short stacking energy: -136.711
Base-Backbone interact. energy: -0.740
local terms energy: -145.579225
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -32.503
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -474.481867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.481867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.082473 (E_RNA)
where:
Base-Base interactions energy: -334.906
where: short stacking energy: -133.999
Base-Backbone interact. energy: -0.468
local terms energy: -139.707840
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -25.597
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.601 (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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -450.614097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.614097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.101538 (E_RNA)
where:
Base-Base interactions energy: -309.271
where: short stacking energy: -130.654
Base-Backbone interact. energy: 0.192
local terms energy: -142.022541
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -38.163
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -427.925271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.925271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.988698 (E_RNA)
where:
Base-Base interactions energy: -304.374
where: short stacking energy: -112.881
Base-Backbone interact. energy: -0.915
local terms energy: -122.698845
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.063 (S_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: 207
Temperature: 1.350000
Total energy: -432.783100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.783100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.238180 (E_RNA)
where:
Base-Base interactions energy: -304.225
where: short stacking energy: -122.542
Base-Backbone interact. energy: -0.691
local terms energy: -128.322404
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -17.796
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -523.051898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.051898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.228200 (E_RNA)
where:
Base-Base interactions energy: -380.022
where: short stacking energy: -149.767
Base-Backbone interact. energy: -0.394
local terms energy: -142.812005
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -37.128
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -531.544306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.544306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.811703 (E_RNA)
where:
Base-Base interactions energy: -368.696
where: short stacking energy: -155.781
Base-Backbone interact. energy: 0.873
local terms energy: -163.988879
where:
bonds (distance) C4'-P energy: -29.781
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -43.165
Dist. restrs. and SS energy: 0.267 (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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -504.737770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.737770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.819235 (E_RNA)
where:
Base-Base interactions energy: -350.404
where: short stacking energy: -147.162
Base-Backbone interact. energy: -0.453
local terms energy: -153.962736
where:
bonds (distance) C4'-P energy: -29.057
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -37.099
Dist. restrs. and SS energy: 0.081 (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: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -487.981952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.981952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.302147 (E_RNA)
where:
Base-Base interactions energy: -349.544
where: short stacking energy: -133.169
Base-Backbone interact. energy: -0.324
local terms energy: -138.433711
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -32.103
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -32.509
Dist. restrs. and SS energy: 0.320 (S_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: 208
Temperature: 1.100000
Total energy: -471.784851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.784851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.926153 (E_RNA)
where:
Base-Base interactions energy: -339.117
where: short stacking energy: -136.496
Base-Backbone interact. energy: 1.167
local terms energy: -133.976590
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -28.203
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -34.613
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -478.380706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.380706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.517184 (E_RNA)
where:
Base-Base interactions energy: -346.900
where: short stacking energy: -136.059
Base-Backbone interact. energy: -0.804
local terms energy: -130.813315
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -464.286005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.286005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.877208 (E_RNA)
where:
Base-Base interactions energy: -333.369
where: short stacking energy: -111.166
Base-Backbone interact. energy: -2.028
local terms energy: -129.480053
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -28.704
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -28.458
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -428.537560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.537560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.678815 (E_RNA)
where:
Base-Base interactions energy: -303.599
where: short stacking energy: -113.459
Base-Backbone interact. energy: -0.364
local terms energy: -124.715895
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -444.926567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.926567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.024467 (E_RNA)
where:
Base-Base interactions energy: -310.118
where: short stacking energy: -120.420
Base-Backbone interact. energy: -0.166
local terms energy: -134.739774
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -18.368
tors. eta vs tors. theta energy: -28.086
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -409.682769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.682769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.891712 (E_RNA)
where:
Base-Base interactions energy: -278.694
where: short stacking energy: -112.289
Base-Backbone interact. energy: -0.249
local terms energy: -130.949193
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.209 (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: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -532.559829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.559829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.628675 (E_RNA)
where:
Base-Base interactions energy: -383.157
where: short stacking energy: -148.851
Base-Backbone interact. energy: -0.666
local terms energy: -148.805690
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -38.172
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -529.368407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.368407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.372520 (E_RNA)
where:
Base-Base interactions energy: -368.235
where: short stacking energy: -150.451
Base-Backbone interact. energy: 1.046
local terms energy: -162.183654
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -40.353
Dist. restrs. and SS energy: 0.004 (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: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -520.054913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.054913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.162156 (E_RNA)
where:
Base-Base interactions energy: -367.571
where: short stacking energy: -151.070
Base-Backbone interact. energy: -0.284
local terms energy: -152.307320
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -41.283
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -502.008736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.008736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.163984 (E_RNA)
where:
Base-Base interactions energy: -358.855
where: short stacking energy: -149.766
Base-Backbone interact. energy: 0.021
local terms energy: -143.329455
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -28.742
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -38.761
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -494.979266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.979266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.235430 (E_RNA)
where:
Base-Base interactions energy: -355.205
where: short stacking energy: -144.621
Base-Backbone interact. energy: -0.145
local terms energy: -139.885451
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -22.972
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -38.919
Dist. restrs. and SS energy: 0.256 (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: 209
Temperature: 1.150000
Total energy: -496.658456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.658456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.999653 (E_RNA)
where:
Base-Base interactions energy: -351.887
where: short stacking energy: -144.865
Base-Backbone interact. energy: -0.160
local terms energy: -144.952992
where:
bonds (distance) C4'-P energy: -24.556
bonds (distance) P-C4' energy: -28.078
flat angles C4'-P-C4' energy: -32.896
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -37.677
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. 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: -478.535749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.535749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.896099 (E_RNA)
where:
Base-Base interactions energy: -339.109
where: short stacking energy: -134.622
Base-Backbone interact. energy: -0.181
local terms energy: -139.606452
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -34.357
Dist. restrs. and SS energy: 0.360 (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: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -433.121309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.121309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.823860 (E_RNA)
where:
Base-Base interactions energy: -316.221
where: short stacking energy: -121.142
Base-Backbone interact. energy: -1.153
local terms energy: -116.449891
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -29.347
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -418.799957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.799957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.308032 (E_RNA)
where:
Base-Base interactions energy: -295.259
where: short stacking energy: -120.246
Base-Backbone interact. energy: -0.432
local terms energy: -123.616359
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -24.616
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.508 (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: 209
Temperature: 1.350000
Total energy: -413.265130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.265130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.755864 (E_RNA)
where:
Base-Base interactions energy: -293.001
where: short stacking energy: -117.219
Base-Backbone interact. energy: -0.258
local terms energy: -120.497588
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.491 (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: 210
Temperature: 0.900000
Total energy: -533.848580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.848580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.098361 (E_RNA)
where:
Base-Base interactions energy: -370.487
where: short stacking energy: -161.215
Base-Backbone interact. energy: -0.518
local terms energy: -163.094070
where:
bonds (distance) C4'-P energy: -30.444
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -41.630
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -523.375645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.375645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.651238 (E_RNA)
where:
Base-Base interactions energy: -362.207
where: short stacking energy: -148.938
Base-Backbone interact. energy: -0.226
local terms energy: -161.217897
where:
bonds (distance) C4'-P energy: -30.754
bonds (distance) P-C4' energy: -30.253
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -29.078
tors. eta vs tors. theta energy: -37.622
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -517.190347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.190347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.206734 (E_RNA)
where:
Base-Base interactions energy: -367.758
where: short stacking energy: -152.044
Base-Backbone interact. energy: -0.380
local terms energy: -149.068012
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -40.926
Dist. restrs. and SS energy: 0.016 (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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -488.541607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.541607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.706690 (E_RNA)
where:
Base-Base interactions energy: -345.461
where: short stacking energy: -133.711
Base-Backbone interact. energy: 0.897
local terms energy: -144.142271
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -36.686
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -487.810852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.810852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.258299 (E_RNA)
where:
Base-Base interactions energy: -345.319
where: short stacking energy: -130.229
Base-Backbone interact. energy: 0.369
local terms energy: -143.307933
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -35.843
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -467.374461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.374461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.731894 (E_RNA)
where:
Base-Base interactions energy: -333.150
where: short stacking energy: -124.141
Base-Backbone interact. energy: -0.868
local terms energy: -133.713626
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -29.849
Dist. restrs. and SS energy: 0.357 (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: 210
Temperature: 1.200000
Total energy: -436.503080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.503080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.334374 (E_RNA)
where:
Base-Base interactions energy: -301.647
where: short stacking energy: -128.548
Base-Backbone interact. energy: -0.358
local terms energy: -135.329920
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -31.666
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -29.598
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -474.217785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.217785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.457162 (E_RNA)
where:
Base-Base interactions energy: -331.067
where: short stacking energy: -135.602
Base-Backbone interact. energy: -0.335
local terms energy: -143.054535
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -33.480
Dist. restrs. and SS energy: 0.239 (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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -422.152419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.152419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.389459 (E_RNA)
where:
Base-Base interactions energy: -293.342
where: short stacking energy: -104.718
Base-Backbone interact. energy: -0.925
local terms energy: -128.122753
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -409.747006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.747006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.895948 (E_RNA)
where:
Base-Base interactions energy: -298.160
where: short stacking energy: -125.943
Base-Backbone interact. energy: -0.319
local terms energy: -111.417854
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -31.333
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -520.564647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.564647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.675328 (E_RNA)
where:
Base-Base interactions energy: -360.196
where: short stacking energy: -141.729
Base-Backbone interact. energy: -0.749
local terms energy: -159.730911
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -29.596
flat angles C4'-P-C4' energy: -36.121
flat angles P-C4'-P energy: -24.368
tors. eta vs tors. theta energy: -36.470
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -518.102153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.102153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.153472 (E_RNA)
where:
Base-Base interactions energy: -364.942
where: short stacking energy: -154.538
Base-Backbone interact. energy: 0.345
local terms energy: -153.556655
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: -40.920
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -515.925801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.925801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.276353 (E_RNA)
where:
Base-Base interactions energy: -372.062
where: short stacking energy: -142.597
Base-Backbone interact. energy: -0.229
local terms energy: -143.985692
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.351 (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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -491.820261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.820261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.845566 (E_RNA)
where:
Base-Base interactions energy: -345.322
where: short stacking energy: -133.178
Base-Backbone interact. energy: 0.525
local terms energy: -147.048328
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -493.645132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.645132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.699059 (E_RNA)
where:
Base-Base interactions energy: -346.051
where: short stacking energy: -142.358
Base-Backbone interact. energy: -0.751
local terms energy: -146.897236
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -25.796
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -38.558
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -460.483416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.483416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.649945 (E_RNA)
where:
Base-Base interactions energy: -328.920
where: short stacking energy: -136.774
Base-Backbone interact. energy: 0.024
local terms energy: -131.753655
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.167 (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: 211
Temperature: 1.200000
Total energy: -453.716753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.716753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.824820 (E_RNA)
where:
Base-Base interactions energy: -327.938
where: short stacking energy: -140.665
Base-Backbone interact. energy: 1.141
local terms energy: -127.028092
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -36.557
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -459.275006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.275006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.858174 (E_RNA)
where:
Base-Base interactions energy: -324.447
where: short stacking energy: -132.465
Base-Backbone interact. energy: -0.139
local terms energy: -135.272749
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -421.857957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.857957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.334868 (E_RNA)
where:
Base-Base interactions energy: -296.317
where: short stacking energy: -113.255
Base-Backbone interact. energy: -0.434
local terms energy: -125.583833
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -409.385184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.385184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.528681 (E_RNA)
where:
Base-Base interactions energy: -287.271
where: short stacking energy: -109.555
Base-Backbone interact. energy: -0.636
local terms energy: -121.621587
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -29.413
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -22.500
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -533.058685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.058685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.215342 (E_RNA)
where:
Base-Base interactions energy: -368.735
where: short stacking energy: -152.990
Base-Backbone interact. energy: -0.327
local terms energy: -164.152674
where:
bonds (distance) C4'-P energy: -30.369
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -42.141
Dist. restrs. and SS energy: 0.157 (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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -527.701162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.701162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.981300 (E_RNA)
where:
Base-Base interactions energy: -368.945
where: short stacking energy: -146.465
Base-Backbone interact. energy: -0.492
local terms energy: -158.544320
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -512.401238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.401238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.663452 (E_RNA)
where:
Base-Base interactions energy: -369.358
where: short stacking energy: -148.735
Base-Backbone interact. energy: -0.583
local terms energy: -142.722507
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -39.104
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -492.598043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.598043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.645993 (E_RNA)
where:
Base-Base interactions energy: -344.926
where: short stacking energy: -139.995
Base-Backbone interact. energy: -0.517
local terms energy: -147.202248
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -29.653
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 0.048 (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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -482.186790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.186790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.351037 (E_RNA)
where:
Base-Base interactions energy: -341.114
where: short stacking energy: -137.549
Base-Backbone interact. energy: -0.723
local terms energy: -140.514536
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -37.809
Dist. restrs. and SS energy: 0.164 (S_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: -495.595952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.595952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.838818 (E_RNA)
where:
Base-Base interactions energy: -346.576
where: short stacking energy: -131.864
Base-Backbone interact. energy: 0.557
local terms energy: -149.820433
where:
bonds (distance) C4'-P energy: -30.722
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: -36.705
Dist. restrs. and SS energy: 0.243 (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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -471.789300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.789300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.302389 (E_RNA)
where:
Base-Base interactions energy: -343.626
where: short stacking energy: -134.555
Base-Backbone interact. energy: -0.343
local terms energy: -128.333018
where:
bonds (distance) C4'-P energy: -20.983
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -35.275
Dist. restrs. and SS energy: 0.513 (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: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -429.933381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.933381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.191214 (E_RNA)
where:
Base-Base interactions energy: -306.926
where: short stacking energy: -129.488
Base-Backbone interact. energy: -0.592
local terms energy: -122.672615
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -29.649
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -427.134643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.134643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.381604 (E_RNA)
where:
Base-Base interactions energy: -305.992
where: short stacking energy: -112.262
Base-Backbone interact. energy: -0.679
local terms energy: -120.710438
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -27.347
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.247 (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: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -418.535133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.535133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.741362 (E_RNA)
where:
Base-Base interactions energy: -296.365
where: short stacking energy: -111.153
Base-Backbone interact. energy: -0.349
local terms energy: -122.026910
where:
bonds (distance) C4'-P energy: -24.171
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -31.566
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -534.696589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.696589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.040778 (E_RNA)
where:
Base-Base interactions energy: -368.755
where: short stacking energy: -155.415
Base-Backbone interact. energy: -1.180
local terms energy: -165.105844
where:
bonds (distance) C4'-P energy: -29.794
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -37.403
Dist. restrs. and SS energy: 0.344 (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: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -540.016640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.016640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.170227 (E_RNA)
where:
Base-Base interactions energy: -377.835
where: short stacking energy: -149.267
Base-Backbone interact. energy: -0.742
local terms energy: -161.592771
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -41.734
Dist. restrs. and SS energy: 0.154 (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: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -507.257898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.257898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.397298 (E_RNA)
where:
Base-Base interactions energy: -355.769
where: short stacking energy: -139.775
Base-Backbone interact. energy: 1.380
local terms energy: -153.008039
where:
bonds (distance) C4'-P energy: -30.199
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -508.081783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.081783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.249475 (E_RNA)
where:
Base-Base interactions energy: -362.366
where: short stacking energy: -143.057
Base-Backbone interact. energy: -0.419
local terms energy: -145.464090
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -36.254
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -37.285
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -486.280315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.280315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.615793 (E_RNA)
where:
Base-Base interactions energy: -343.849
where: short stacking energy: -143.550
Base-Backbone interact. energy: 1.496
local terms energy: -144.262605
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -37.164
Dist. restrs. and SS energy: 0.335 (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: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -496.913632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.913632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.182384 (E_RNA)
where:
Base-Base interactions energy: -347.722
where: short stacking energy: -142.201
Base-Backbone interact. energy: -1.774
local terms energy: -147.686757
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -38.881
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -474.011758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.011758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.078830 (E_RNA)
where:
Base-Base interactions energy: -336.396
where: short stacking energy: -135.501
Base-Backbone interact. energy: 2.137
local terms energy: -139.820001
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -37.959
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -429.158880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.158880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.709871 (E_RNA)
where:
Base-Base interactions energy: -298.195
where: short stacking energy: -120.601
Base-Backbone interact. energy: 1.740
local terms energy: -133.254955
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -18.647
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -413.269390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.440359 (E_RNA)
where:
Base-Base interactions energy: -302.943
where: short stacking energy: -115.450
Base-Backbone interact. energy: -1.159
local terms energy: -109.337984
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -427.796182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.796182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.117758 (E_RNA)
where:
Base-Base interactions energy: -308.392
where: short stacking energy: -117.716
Base-Backbone interact. energy: -1.828
local terms energy: -117.898558
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -551.270927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.270927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.449244 (E_RNA)
where:
Base-Base interactions energy: -385.060
where: short stacking energy: -153.645
Base-Backbone interact. energy: -0.007
local terms energy: -166.381597
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -27.033
tors. eta vs tors. theta energy: -42.005
Dist. restrs. and SS energy: 0.178 (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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -509.815704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.815704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.816801 (E_RNA)
where:
Base-Base interactions energy: -358.145
where: short stacking energy: -137.884
Base-Backbone interact. energy: -0.428
local terms energy: -151.244278
where:
bonds (distance) C4'-P energy: -31.665
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -36.212
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -512.115243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.115243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.417385 (E_RNA)
where:
Base-Base interactions energy: -359.559
where: short stacking energy: -149.387
Base-Backbone interact. energy: -0.111
local terms energy: -152.747617
where:
bonds (distance) C4'-P energy: -29.430
bonds (distance) P-C4' energy: -23.463
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -38.899
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -506.904296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.904296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.413157 (E_RNA)
where:
Base-Base interactions energy: -358.709
where: short stacking energy: -140.459
Base-Backbone interact. energy: 0.532
local terms energy: -149.235956
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -33.206
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -37.917
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -496.410993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.410993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.506845 (E_RNA)
where:
Base-Base interactions energy: -352.850
where: short stacking energy: -143.610
Base-Backbone interact. energy: 0.989
local terms energy: -144.646147
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -41.084
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -469.031698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.031698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.253612 (E_RNA)
where:
Base-Base interactions energy: -334.225
where: short stacking energy: -133.701
Base-Backbone interact. energy: -0.234
local terms energy: -134.794678
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -32.221
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -33.994
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -444.693423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.693423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.040930 (E_RNA)
where:
Base-Base interactions energy: -307.524
where: short stacking energy: -123.630
Base-Backbone interact. energy: -0.021
local terms energy: -137.495686
where:
bonds (distance) C4'-P energy: -25.499
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -27.989
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -448.152149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.152149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.481704 (E_RNA)
where:
Base-Base interactions energy: -317.288
where: short stacking energy: -117.843
Base-Backbone interact. energy: -0.584
local terms energy: -130.609328
where:
bonds (distance) C4'-P energy: -23.698
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -20.353
tors. eta vs tors. theta energy: -26.494
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -425.056571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.056571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.795226 (E_RNA)
where:
Base-Base interactions energy: -305.015
where: short stacking energy: -133.780
Base-Backbone interact. energy: -1.207
local terms energy: -119.572718
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -24.200
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -18.393
tors. eta vs tors. theta energy: -28.492
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: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -394.849970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.849970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.261093 (E_RNA)
where:
Base-Base interactions energy: -282.337
where: short stacking energy: -103.138
Base-Backbone interact. energy: -1.071
local terms energy: -111.852304
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -26.365
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -540.046349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.046349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.306834 (E_RNA)
where:
Base-Base interactions energy: -376.717
where: short stacking energy: -153.439
Base-Backbone interact. energy: -0.568
local terms energy: -163.022129
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -35.207
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.260 (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: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -528.435197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.435197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.516941 (E_RNA)
where:
Base-Base interactions energy: -379.315
where: short stacking energy: -147.711
Base-Backbone interact. energy: -0.636
local terms energy: -148.566125
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -35.895
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -506.555446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.555446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.768885 (E_RNA)
where:
Base-Base interactions energy: -358.775
where: short stacking energy: -146.361
Base-Backbone interact. energy: -0.525
local terms energy: -147.469333
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -38.551
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -510.210593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.210593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.239209 (E_RNA)
where:
Base-Base interactions energy: -358.460
where: short stacking energy: -136.501
Base-Backbone interact. energy: -0.270
local terms energy: -151.508852
where:
bonds (distance) C4'-P energy: -28.626
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -38.551
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -508.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.161197 (E_RNA)
where:
Base-Base interactions energy: -358.285
where: short stacking energy: -140.975
Base-Backbone interact. energy: 0.040
local terms energy: -150.915594
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -483.393621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.393621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.841433 (E_RNA)
where:
Base-Base interactions energy: -346.616
where: short stacking energy: -137.746
Base-Backbone interact. energy: -0.713
local terms energy: -136.511938
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -29.204
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -36.734
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: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -450.207242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.207242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.505056 (E_RNA)
where:
Base-Base interactions energy: -315.310
where: short stacking energy: -123.818
Base-Backbone interact. energy: -0.256
local terms energy: -134.939651
where:
bonds (distance) C4'-P energy: -30.372
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -36.127
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -460.951406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.951406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.119674 (E_RNA)
where:
Base-Base interactions energy: -337.836
where: short stacking energy: -123.366
Base-Backbone interact. energy: 2.374
local terms energy: -125.657794
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -27.356
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -414.973766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.973766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.377525 (E_RNA)
where:
Base-Base interactions energy: -303.332
where: short stacking energy: -112.097
Base-Backbone interact. energy: 0.522
local terms energy: -112.567567
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.404 (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: 215
Temperature: 1.350000
Total energy: -419.912182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.912182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.937370 (E_RNA)
where:
Base-Base interactions energy: -300.648
where: short stacking energy: -113.137
Base-Backbone interact. energy: -0.585
local terms energy: -118.704161
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -29.686
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -546.567200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.567200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.764799 (E_RNA)
where:
Base-Base interactions energy: -384.996
where: short stacking energy: -149.617
Base-Backbone interact. energy: -0.986
local terms energy: -160.783053
where:
bonds (distance) C4'-P energy: -33.324
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -515.427941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.427941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.469135 (E_RNA)
where:
Base-Base interactions energy: -372.389
where: short stacking energy: -150.711
Base-Backbone interact. energy: 0.757
local terms energy: -143.836807
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -38.097
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -521.231855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.231855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.412684 (E_RNA)
where:
Base-Base interactions energy: -363.540
where: short stacking energy: -138.073
Base-Backbone interact. energy: -0.451
local terms energy: -157.421642
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -37.997
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -500.096865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.096865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.311419 (E_RNA)
where:
Base-Base interactions energy: -354.660
where: short stacking energy: -146.700
Base-Backbone interact. energy: -0.549
local terms energy: -145.102253
where:
bonds (distance) C4'-P energy: -29.329
bonds (distance) P-C4' energy: -28.270
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -38.120
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -489.005330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.005330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.806028 (E_RNA)
where:
Base-Base interactions energy: -344.656
where: short stacking energy: -141.829
Base-Backbone interact. energy: -0.596
local terms energy: -144.554517
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -37.153
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -493.000133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.000133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.122846 (E_RNA)
where:
Base-Base interactions energy: -350.144
where: short stacking energy: -136.872
Base-Backbone interact. energy: 1.270
local terms energy: -144.249483
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -39.394
Dist. restrs. and SS energy: 0.123 (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: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -452.779633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.779633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.918806 (E_RNA)
where:
Base-Base interactions energy: -319.392
where: short stacking energy: -126.749
Base-Backbone interact. energy: -0.919
local terms energy: -132.608303
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -31.120
Dist. restrs. and SS energy: 0.139 (S_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: 216
Temperature: 1.250000
Total energy: -465.704130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.704130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.159233 (E_RNA)
where:
Base-Base interactions energy: -326.496
where: short stacking energy: -141.441
Base-Backbone interact. energy: -0.497
local terms energy: -139.166148
where:
bonds (distance) C4'-P energy: -23.411
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -42.482
Dist. restrs. and SS energy: 0.455 (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: 216
Temperature: 1.300000
Total energy: -420.267683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.267683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.591942 (E_RNA)
where:
Base-Base interactions energy: -300.997
where: short stacking energy: -114.172
Base-Backbone interact. energy: 2.659
local terms energy: -122.254531
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -28.500
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -431.653810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.653810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.021600 (E_RNA)
where:
Base-Base interactions energy: -316.254
where: short stacking energy: -123.753
Base-Backbone interact. energy: -1.223
local terms energy: -114.544187
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -30.016
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: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -538.850390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.850390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.125406 (E_RNA)
where:
Base-Base interactions energy: -381.716
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.354
local terms energy: -157.054992
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -30.440
flat angles C4'-P-C4' energy: -37.101
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -42.083
Dist. restrs. and SS energy: 0.275 (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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -525.322376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.322376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.433675 (E_RNA)
where:
Base-Base interactions energy: -368.558
where: short stacking energy: -146.893
Base-Backbone interact. energy: -0.544
local terms energy: -156.331111
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -34.833
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -34.572
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -502.189650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.189650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.410995 (E_RNA)
where:
Base-Base interactions energy: -359.687
where: short stacking energy: -137.510
Base-Backbone interact. energy: -0.442
local terms energy: -142.281281
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -29.065
flat angles C4'-P-C4' energy: -33.645
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -34.818
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -513.855673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.855673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.909212 (E_RNA)
where:
Base-Base interactions energy: -366.221
where: short stacking energy: -140.353
Base-Backbone interact. energy: -0.881
local terms energy: -146.807071
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -39.856
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -479.695505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.695505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.855290 (E_RNA)
where:
Base-Base interactions energy: -354.605
where: short stacking energy: -137.569
Base-Backbone interact. energy: -0.310
local terms energy: -124.940812
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -478.763684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.763684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.864378 (E_RNA)
where:
Base-Base interactions energy: -341.343
where: short stacking energy: -139.535
Base-Backbone interact. energy: -0.400
local terms energy: -137.121507
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -39.817
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. 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: -440.231054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.231054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.939519 (E_RNA)
where:
Base-Base interactions energy: -315.767
where: short stacking energy: -127.017
Base-Backbone interact. energy: -0.846
local terms energy: -124.326602
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -35.435
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -441.366541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.366541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.545849 (E_RNA)
where:
Base-Base interactions energy: -302.691
where: short stacking energy: -124.485
Base-Backbone interact. energy: -0.511
local terms energy: -139.343949
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -29.139
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -435.998616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.998616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.579045 (E_RNA)
where:
Base-Base interactions energy: -316.322
where: short stacking energy: -123.325
Base-Backbone interact. energy: -1.166
local terms energy: -119.090482
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -26.993
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: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -450.669742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.669742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.827595 (E_RNA)
where:
Base-Base interactions energy: -326.620
where: short stacking energy: -134.634
Base-Backbone interact. energy: 0.942
local terms energy: -126.149701
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -30.249
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -38.804
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: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -546.804036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.804036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.195704 (E_RNA)
where:
Base-Base interactions energy: -384.519
where: short stacking energy: -153.724
Base-Backbone interact. energy: -0.688
local terms energy: -161.989094
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -42.512
Dist. restrs. and SS energy: 0.392 (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: 218
Temperature: 0.950000
Total energy: -527.003812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.003812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.010895 (E_RNA)
where:
Base-Base interactions energy: -370.882
where: short stacking energy: -154.554
Base-Backbone interact. energy: 0.051
local terms energy: -156.179590
where:
bonds (distance) C4'-P energy: -30.459
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.007 (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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -525.432230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.432230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.547007 (E_RNA)
where:
Base-Base interactions energy: -374.597
where: short stacking energy: -153.798
Base-Backbone interact. energy: -0.528
local terms energy: -150.422695
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -25.265
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -44.246
Dist. restrs. and SS energy: 0.115 (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: 218
Temperature: 1.050000
Total energy: -505.158819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.158819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.287439 (E_RNA)
where:
Base-Base interactions energy: -364.516
where: short stacking energy: -138.765
Base-Backbone interact. energy: -0.717
local terms energy: -140.054390
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -35.899
Dist. restrs. and SS energy: 0.129 (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: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -494.187426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.187426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.290341 (E_RNA)
where:
Base-Base interactions energy: -351.396
where: short stacking energy: -144.111
Base-Backbone interact. energy: -0.443
local terms energy: -142.451850
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -39.261
Dist. restrs. and SS energy: 0.103 (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: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -476.080226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.080226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.684102 (E_RNA)
where:
Base-Base interactions energy: -335.852
where: short stacking energy: -134.186
Base-Backbone interact. energy: 0.094
local terms energy: -140.925724
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -33.240
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -30.812
Dist. restrs. and SS energy: 0.604 (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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -445.333339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.333339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.919254 (E_RNA)
where:
Base-Base interactions energy: -315.205
where: short stacking energy: -129.907
Base-Backbone interact. energy: 3.648
local terms energy: -134.362846
where:
bonds (distance) C4'-P energy: -24.821
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -32.524
Dist. restrs. and SS energy: 0.586 (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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -436.804462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.804462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.937080 (E_RNA)
where:
Base-Base interactions energy: -308.943
where: short stacking energy: -119.802
Base-Backbone interact. energy: -1.181
local terms energy: -126.812982
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -30.704
Dist. restrs. and SS energy: 0.133 (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: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -465.048884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.048884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.313244 (E_RNA)
where:
Base-Base interactions energy: -334.641
where: short stacking energy: -136.166
Base-Backbone interact. energy: -0.591
local terms energy: -130.081005
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -413.995107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.995107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.350825 (E_RNA)
where:
Base-Base interactions energy: -296.433
where: short stacking energy: -113.893
Base-Backbone interact. energy: -0.344
local terms energy: -117.574566
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -540.575890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.575890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.860367 (E_RNA)
where:
Base-Base interactions energy: -386.770
where: short stacking energy: -153.302
Base-Backbone interact. energy: -0.672
local terms energy: -153.418288
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -30.887
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -524.599994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.599994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.926519 (E_RNA)
where:
Base-Base interactions energy: -371.609
where: short stacking energy: -156.056
Base-Backbone interact. energy: 0.798
local terms energy: -154.115661
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -33.654
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -524.829286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.829286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.042301 (E_RNA)
where:
Base-Base interactions energy: -375.740
where: short stacking energy: -141.037
Base-Backbone interact. energy: -0.171
local terms energy: -149.131814
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -26.560
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -38.272
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -484.472091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.472091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.250082 (E_RNA)
where:
Base-Base interactions energy: -342.514
where: short stacking energy: -140.516
Base-Backbone interact. energy: 0.148
local terms energy: -142.884102
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -40.852
Dist. restrs. and SS energy: 0.778 (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: 219
Temperature: 1.100000
Total energy: -504.273900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.273900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.378487 (E_RNA)
where:
Base-Base interactions energy: -353.988
where: short stacking energy: -150.290
Base-Backbone interact. energy: -1.833
local terms energy: -148.557039
where:
bonds (distance) C4'-P energy: -23.205
bonds (distance) P-C4' energy: -31.603
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -21.372
tors. eta vs tors. theta energy: -42.111
Dist. restrs. and SS energy: 0.105 (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: 219
Temperature: 1.150000
Total energy: -475.425757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.425757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.858942 (E_RNA)
where:
Base-Base interactions energy: -342.724
where: short stacking energy: -140.541
Base-Backbone interact. energy: 1.371
local terms energy: -134.505435
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -24.546
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -34.124
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -445.566528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.566528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.845758 (E_RNA)
where:
Base-Base interactions energy: -313.305
where: short stacking energy: -120.621
Base-Backbone interact. energy: -1.161
local terms energy: -131.379476
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -31.173
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -458.810653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.810653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.125374 (E_RNA)
where:
Base-Base interactions energy: -324.047
where: short stacking energy: -122.227
Base-Backbone interact. energy: -0.070
local terms energy: -135.008201
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -27.774
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -418.231289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.231289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.340836 (E_RNA)
where:
Base-Base interactions energy: -290.853
where: short stacking energy: -110.194
Base-Backbone interact. energy: -0.817
local terms energy: -126.670193
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -28.713
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.110 (S_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: 219
Temperature: 1.350000
Total energy: -412.107082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.107082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.319335 (E_RNA)
where:
Base-Base interactions energy: -306.130
where: short stacking energy: -110.437
Base-Backbone interact. energy: 1.265
local terms energy: -107.453666
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -18.260
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.212 (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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -536.981585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.981585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.194642 (E_RNA)
where:
Base-Base interactions energy: -383.625
where: short stacking energy: -158.682
Base-Backbone interact. energy: -0.506
local terms energy: -153.064091
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -42.213
Dist. restrs. and SS energy: 0.213 (S_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: 220
Temperature: 0.950000
Total energy: -521.996219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.996219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.194857 (E_RNA)
where:
Base-Base interactions energy: -370.673
where: short stacking energy: -146.477
Base-Backbone interact. energy: -0.604
local terms energy: -150.917889
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -39.127
Dist. restrs. and SS energy: 0.199 (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: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -509.057555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.057555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.347765 (E_RNA)
where:
Base-Base interactions energy: -365.943
where: short stacking energy: -153.249
Base-Backbone interact. energy: -0.423
local terms energy: -142.981071
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -31.145
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -33.707
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -486.681323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.681323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.920003 (E_RNA)
where:
Base-Base interactions energy: -342.118
where: short stacking energy: -133.530
Base-Backbone interact. energy: -0.053
local terms energy: -144.748437
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -28.489
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -35.900
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -466.178022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.178022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.374169 (E_RNA)
where:
Base-Base interactions energy: -331.518
where: short stacking energy: -136.773
Base-Backbone interact. energy: -1.052
local terms energy: -133.804002
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -36.808
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -487.804727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.804727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.095914 (E_RNA)
where:
Base-Base interactions energy: -345.223
where: short stacking energy: -139.269
Base-Backbone interact. energy: -0.165
local terms energy: -142.708688
where:
bonds (distance) C4'-P energy: -22.941
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -36.409
Dist. restrs. and SS energy: 0.291 (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: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -479.923699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.923699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.361506 (E_RNA)
where:
Base-Base interactions energy: -342.092
where: short stacking energy: -144.650
Base-Backbone interact. energy: -0.600
local terms energy: -137.669714
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -32.783
flat angles C4'-P-C4' energy: -26.316
flat angles P-C4'-P energy: -23.223
tors. eta vs tors. theta energy: -35.635
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -461.892968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.892968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.019468 (E_RNA)
where:
Base-Base interactions energy: -327.725
where: short stacking energy: -133.954
Base-Backbone interact. energy: -0.631
local terms energy: -133.663987
where:
bonds (distance) C4'-P energy: -27.938
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -35.557
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -421.848742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.848742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.240259 (E_RNA)
where:
Base-Base interactions energy: -303.992
where: short stacking energy: -113.414
Base-Backbone interact. energy: -0.488
local terms energy: -117.759390
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -434.680732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.680732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.915228 (E_RNA)
where:
Base-Base interactions energy: -310.357
where: short stacking energy: -120.814
Base-Backbone interact. energy: 3.683
local terms energy: -128.241428
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -30.423
Dist. restrs. and SS energy: 0.234 (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: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -540.123660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.123660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.302302 (E_RNA)
where:
Base-Base interactions energy: -380.406
where: short stacking energy: -153.667
Base-Backbone interact. energy: -0.441
local terms energy: -159.456086
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -528.103222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.103222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.321053 (E_RNA)
where:
Base-Base interactions energy: -370.072
where: short stacking energy: -150.028
Base-Backbone interact. energy: 0.159
local terms energy: -158.407786
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -29.777
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -513.524009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.524009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.620340 (E_RNA)
where:
Base-Base interactions energy: -369.753
where: short stacking energy: -142.308
Base-Backbone interact. energy: -0.238
local terms energy: -143.629245
where:
bonds (distance) C4'-P energy: -25.991
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.096 (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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -508.571157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.571157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.237226 (E_RNA)
where:
Base-Base interactions energy: -363.989
where: short stacking energy: -143.204
Base-Backbone interact. energy: 0.661
local terms energy: -145.909303
where:
bonds (distance) C4'-P energy: -25.265
bonds (distance) P-C4' energy: -32.058
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -38.930
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -465.116099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.116099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.438923 (E_RNA)
where:
Base-Base interactions energy: -327.337
where: short stacking energy: -136.433
Base-Backbone interact. energy: -0.643
local terms energy: -137.458335
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -31.272
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -31.438
Dist. restrs. and SS energy: 0.323 (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: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -485.711249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.711249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.746454 (E_RNA)
where:
Base-Base interactions energy: -332.554
where: short stacking energy: -131.087
Base-Backbone interact. energy: -0.496
local terms energy: -152.696715
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -33.696
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -27.441
Dist. restrs. and SS energy: 0.035 (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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -485.757478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.757478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.778905 (E_RNA)
where:
Base-Base interactions energy: -346.905
where: short stacking energy: -136.458
Base-Backbone interact. energy: 0.060
local terms energy: -138.934172
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -30.322
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -38.170
Dist. restrs. and SS energy: 0.021 (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: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -446.021161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.021161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.229882 (E_RNA)
where:
Base-Base interactions energy: -328.380
where: short stacking energy: -122.469
Base-Backbone interact. energy: -0.412
local terms energy: -117.437743
where:
bonds (distance) C4'-P energy: -24.635
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -26.132
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: 0.209 (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: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -412.729394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.729394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.972655 (E_RNA)
where:
Base-Base interactions energy: -295.886
where: short stacking energy: -119.428
Base-Backbone interact. energy: -0.526
local terms energy: -116.560906
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -26.368
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -30.766
Dist. restrs. and SS energy: 0.243 (S_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: 221
Temperature: 1.350000
Total energy: -435.892224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.892224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.972115 (E_RNA)
where:
Base-Base interactions energy: -312.380
where: short stacking energy: -114.773
Base-Backbone interact. energy: -0.907
local terms energy: -123.685232
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 1.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -534.562343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.562343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.673912 (E_RNA)
where:
Base-Base interactions energy: -376.314
where: short stacking energy: -158.004
Base-Backbone interact. energy: -0.214
local terms energy: -158.145278
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: -42.148
Dist. restrs. and SS energy: 0.112 (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: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -534.465191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.465191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.601531 (E_RNA)
where:
Base-Base interactions energy: -380.071
where: short stacking energy: -158.847
Base-Backbone interact. energy: -0.447
local terms energy: -154.083737
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.136 (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: 222
Temperature: 1.000000
Total energy: -506.066726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.066726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.309098 (E_RNA)
where:
Base-Base interactions energy: -349.324
where: short stacking energy: -134.438
Base-Backbone interact. energy: -0.489
local terms energy: -156.496440
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -37.475
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -508.142745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.142745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.320066 (E_RNA)
where:
Base-Base interactions energy: -357.576
where: short stacking energy: -152.100
Base-Backbone interact. energy: -0.208
local terms energy: -150.536039
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -37.044
Dist. restrs. and SS energy: 0.177 (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: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -491.407408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.407408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.580506 (E_RNA)
where:
Base-Base interactions energy: -352.398
where: short stacking energy: -137.252
Base-Backbone interact. energy: 2.673
local terms energy: -141.856180
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.173 (S_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: 222
Temperature: 1.150000
Total energy: -459.352059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.352059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.770649 (E_RNA)
where:
Base-Base interactions energy: -320.788
where: short stacking energy: -124.078
Base-Backbone interact. energy: 0.418
local terms energy: -139.400551
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -24.723
tors. eta vs tors. theta energy: -33.616
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -478.053380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.053380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.651686 (E_RNA)
where:
Base-Base interactions energy: -345.617
where: short stacking energy: -146.876
Base-Backbone interact. energy: -0.548
local terms energy: -132.486838
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -37.310
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -447.042810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.042810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.550078 (E_RNA)
where:
Base-Base interactions energy: -308.365
where: short stacking energy: -130.598
Base-Backbone interact. energy: -0.382
local terms energy: -138.803355
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -22.453
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -22.461
tors. eta vs tors. theta energy: -35.867
Dist. restrs. and SS energy: 0.507 (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: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -444.063786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.063786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.480416 (E_RNA)
where:
Base-Base interactions energy: -304.276
where: short stacking energy: -125.727
Base-Backbone interact. energy: -2.668
local terms energy: -137.536258
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -31.765
Dist. restrs. and SS energy: 0.417 (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: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -421.213614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.213614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.730391 (E_RNA)
where:
Base-Base interactions energy: -307.655
where: short stacking energy: -111.343
Base-Backbone interact. energy: 0.478
local terms energy: -114.552666
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.517 (S_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: 223
Temperature: 0.900000
Total energy: -537.541732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.541732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.827120 (E_RNA)
where:
Base-Base interactions energy: -372.231
where: short stacking energy: -151.505
Base-Backbone interact. energy: -2.950
local terms energy: -162.645941
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -44.717
Dist. restrs. and SS energy: 0.285 (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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -524.589210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.589210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.853718 (E_RNA)
where:
Base-Base interactions energy: -368.663
where: short stacking energy: -155.491
Base-Backbone interact. energy: -3.092
local terms energy: -153.099350
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -39.220
Dist. restrs. and SS energy: 0.265 (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: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -512.351165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.351165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.596120 (E_RNA)
where:
Base-Base interactions energy: -357.507
where: short stacking energy: -152.890
Base-Backbone interact. energy: -0.983
local terms energy: -154.106238
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -24.514
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -510.857879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.857879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.940140 (E_RNA)
where:
Base-Base interactions energy: -362.372
where: short stacking energy: -143.910
Base-Backbone interact. energy: -2.083
local terms energy: -146.484440
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -28.000
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -41.981
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -486.210191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.210191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.506135 (E_RNA)
where:
Base-Base interactions energy: -353.227
where: short stacking energy: -150.349
Base-Backbone interact. energy: -0.641
local terms energy: -132.638357
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -25.302
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -39.268
Dist. restrs. and SS energy: 0.296 (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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -497.185731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.185731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.643933 (E_RNA)
where:
Base-Base interactions energy: -361.266
where: short stacking energy: -142.371
Base-Backbone interact. energy: 0.310
local terms energy: -136.687861
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -36.065
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -468.615192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.615192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.436146 (E_RNA)
where:
Base-Base interactions energy: -320.211
where: short stacking energy: -131.259
Base-Backbone interact. energy: -1.204
local terms energy: -148.020817
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -36.934
Dist. restrs. and SS energy: 0.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -459.083325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.083325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.380022 (E_RNA)
where:
Base-Base interactions energy: -319.492
where: short stacking energy: -127.978
Base-Backbone interact. energy: -1.033
local terms energy: -138.854640
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -36.215
Dist. restrs. and SS energy: 0.297 (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: 223
Temperature: 1.300000
Total energy: -430.395159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.395159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.793927 (E_RNA)
where:
Base-Base interactions energy: -311.665
where: short stacking energy: -116.329
Base-Backbone interact. energy: -0.366
local terms energy: -118.763773
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -20.241
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.399 (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: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -436.592864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.592864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.051375 (E_RNA)
where:
Base-Base interactions energy: -314.635
where: short stacking energy: -119.730
Base-Backbone interact. energy: -0.190
local terms energy: -122.226261
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -30.199
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.459 (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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -531.929410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.929410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.128695 (E_RNA)
where:
Base-Base interactions energy: -373.893
where: short stacking energy: -155.876
Base-Backbone interact. energy: -0.417
local terms energy: -157.819502
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -41.760
Dist. restrs. and SS energy: 0.199 (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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -514.707259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.945280 (E_RNA)
where:
Base-Base interactions energy: -365.047
where: short stacking energy: -151.657
Base-Backbone interact. energy: -0.163
local terms energy: -149.735485
where:
bonds (distance) C4'-P energy: -29.623
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -505.592623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.592623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.969555 (E_RNA)
where:
Base-Base interactions energy: -363.838
where: short stacking energy: -154.564
Base-Backbone interact. energy: 0.271
local terms energy: -142.402467
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -37.613
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -506.445857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.445857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.582834 (E_RNA)
where:
Base-Base interactions energy: -357.678
where: short stacking energy: -139.146
Base-Backbone interact. energy: -0.571
local terms energy: -148.334012
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -41.823
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -492.263432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.263432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.757673 (E_RNA)
where:
Base-Base interactions energy: -345.736
where: short stacking energy: -138.266
Base-Backbone interact. energy: -0.021
local terms energy: -147.000678
where:
bonds (distance) C4'-P energy: -28.815
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -481.251768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.251768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.509633 (E_RNA)
where:
Base-Base interactions energy: -343.877
where: short stacking energy: -138.134
Base-Backbone interact. energy: 0.552
local terms energy: -138.184473
where:
bonds (distance) C4'-P energy: -26.210
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -38.941
Dist. restrs. and SS energy: 0.258 (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: 224
Temperature: 1.200000
Total energy: -441.294642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.294642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.773602 (E_RNA)
where:
Base-Base interactions energy: -314.359
where: short stacking energy: -117.948
Base-Backbone interact. energy: 2.088
local terms energy: -129.502132
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -31.116
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -453.044695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.044695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.478314 (E_RNA)
where:
Base-Base interactions energy: -319.473
where: short stacking energy: -128.118
Base-Backbone interact. energy: -0.427
local terms energy: -133.577579
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -33.648
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -443.466633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.466633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.620989 (E_RNA)
where:
Base-Base interactions energy: -313.580
where: short stacking energy: -126.059
Base-Backbone interact. energy: -0.421
local terms energy: -129.619951
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 0.154 (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: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -426.433717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.433717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.925396 (E_RNA)
where:
Base-Base interactions energy: -302.139
where: short stacking energy: -114.549
Base-Backbone interact. energy: -1.343
local terms energy: -123.443428
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -26.616
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -28.602
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -530.796244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.796244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.240343 (E_RNA)
where:
Base-Base interactions energy: -374.126
where: short stacking energy: -148.801
Base-Backbone interact. energy: -0.545
local terms energy: -156.569453
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -34.079
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -37.444
Dist. restrs. and SS energy: 0.444 (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: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -511.277140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.277140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.374731 (E_RNA)
where:
Base-Base interactions energy: -359.834
where: short stacking energy: -147.455
Base-Backbone interact. energy: -0.583
local terms energy: -150.957962
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -38.581
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -500.993960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.993960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.408920 (E_RNA)
where:
Base-Base interactions energy: -354.808
where: short stacking energy: -150.303
Base-Backbone interact. energy: -1.276
local terms energy: -145.324642
where:
bonds (distance) C4'-P energy: -26.224
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -41.656
Dist. restrs. and SS energy: 0.415 (S_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: 225
Temperature: 1.050000
Total energy: -487.102626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.102626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.228157 (E_RNA)
where:
Base-Base interactions energy: -357.415
where: short stacking energy: -125.980
Base-Backbone interact. energy: -0.582
local terms energy: -129.231136
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -18.586
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -487.675295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.675295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.884016 (E_RNA)
where:
Base-Base interactions energy: -342.524
where: short stacking energy: -135.968
Base-Backbone interact. energy: -0.835
local terms energy: -144.525967
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -30.989
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -38.455
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -453.551574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.551574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.159876 (E_RNA)
where:
Base-Base interactions energy: -324.876
where: short stacking energy: -121.344
Base-Backbone interact. energy: -0.107
local terms energy: -129.176610
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -31.635
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -439.620955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.620955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.927490 (E_RNA)
where:
Base-Base interactions energy: -311.390
where: short stacking energy: -120.318
Base-Backbone interact. energy: -0.172
local terms energy: -128.365241
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -27.021
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -467.137520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.137520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.177725 (E_RNA)
where:
Base-Base interactions energy: -334.854
where: short stacking energy: -138.606
Base-Backbone interact. energy: -0.094
local terms energy: -132.229869
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -34.761
Dist. restrs. and SS energy: 0.040 (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: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -457.521486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.090815 (E_RNA)
where:
Base-Base interactions energy: -325.031
where: short stacking energy: -133.299
Base-Backbone interact. energy: -1.164
local terms energy: -131.896278
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -26.938
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -35.419
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: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -409.810890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.810890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.049189 (E_RNA)
where:
Base-Base interactions energy: -293.812
where: short stacking energy: -111.314
Base-Backbone interact. energy: 0.216
local terms energy: -116.453778
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -32.799
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.238 (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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -529.078166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.078166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.184519 (E_RNA)
where:
Base-Base interactions energy: -365.020
where: short stacking energy: -163.766
Base-Backbone interact. energy: -1.341
local terms energy: -162.823592
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -29.802
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.106 (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: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -516.261369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.261369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.350426 (E_RNA)
where:
Base-Base interactions energy: -380.649
where: short stacking energy: -162.091
Base-Backbone interact. energy: -0.555
local terms energy: -135.145915
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: 0.089 (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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -502.073788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.073788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.430543 (E_RNA)
where:
Base-Base interactions energy: -343.115
where: short stacking energy: -138.568
Base-Backbone interact. energy: -0.601
local terms energy: -158.714348
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -29.430
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -492.999371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.999371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.229712 (E_RNA)
where:
Base-Base interactions energy: -341.647
where: short stacking energy: -146.025
Base-Backbone interact. energy: -0.537
local terms energy: -151.045673
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -42.565
Dist. restrs. and SS energy: 0.230 (S_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: 226
Temperature: 1.100000
Total energy: -470.565144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.565144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.727443 (E_RNA)
where:
Base-Base interactions energy: -341.857
where: short stacking energy: -127.290
Base-Backbone interact. energy: 0.050
local terms energy: -128.920605
where:
bonds (distance) C4'-P energy: -23.843
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -468.141818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.141818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.647350 (E_RNA)
where:
Base-Base interactions energy: -335.473
where: short stacking energy: -141.659
Base-Backbone interact. energy: 0.218
local terms energy: -133.391979
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -33.339
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -476.202570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.202570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.563882 (E_RNA)
where:
Base-Base interactions energy: -339.979
where: short stacking energy: -128.752
Base-Backbone interact. energy: -0.760
local terms energy: -135.825218
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -438.011813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.011813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.799058 (E_RNA)
where:
Base-Base interactions energy: -309.942
where: short stacking energy: -130.686
Base-Backbone interact. energy: -0.235
local terms energy: -128.622151
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -32.543
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -437.289318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.289318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.354992 (E_RNA)
where:
Base-Base interactions energy: -310.287
where: short stacking energy: -117.296
Base-Backbone interact. energy: -0.841
local terms energy: -126.226843
where:
bonds (distance) C4'-P energy: -30.389
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -28.432
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -28.913
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -410.935613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.341912 (E_RNA)
where:
Base-Base interactions energy: -294.895
where: short stacking energy: -111.212
Base-Backbone interact. energy: -0.303
local terms energy: -116.144579
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.406 (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: 227
Temperature: 0.900000
Total energy: -534.517155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.517155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.687420 (E_RNA)
where:
Base-Base interactions energy: -386.241
where: short stacking energy: -153.895
Base-Backbone interact. energy: 0.221
local terms energy: -148.668075
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -41.446
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -518.930658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.930658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.378498 (E_RNA)
where:
Base-Base interactions energy: -369.282
where: short stacking energy: -157.459
Base-Backbone interact. energy: -0.242
local terms energy: -149.854577
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -44.305
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: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -517.309346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.309346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.422074 (E_RNA)
where:
Base-Base interactions energy: -362.297
where: short stacking energy: -154.083
Base-Backbone interact. energy: 0.281
local terms energy: -155.406695
where:
bonds (distance) C4'-P energy: -31.614
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -20.333
tors. eta vs tors. theta energy: -39.831
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -498.618881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.618881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.056246 (E_RNA)
where:
Base-Base interactions energy: -350.049
where: short stacking energy: -141.859
Base-Backbone interact. energy: -3.609
local terms energy: -145.397529
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -37.368
Dist. restrs. and SS energy: 0.437 (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: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -485.040600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.040600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.165181 (E_RNA)
where:
Base-Base interactions energy: -342.890
where: short stacking energy: -143.025
Base-Backbone interact. energy: -1.793
local terms energy: -140.482629
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -33.866
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -485.960893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.960893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.348990 (E_RNA)
where:
Base-Base interactions energy: -342.316
where: short stacking energy: -141.867
Base-Backbone interact. energy: 0.581
local terms energy: -144.613367
where:
bonds (distance) C4'-P energy: -29.027
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -40.078
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -463.292440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.292440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.203239 (E_RNA)
where:
Base-Base interactions energy: -337.115
where: short stacking energy: -125.960
Base-Backbone interact. energy: -0.591
local terms energy: -126.497101
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -25.751
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -30.446
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -453.821120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.821120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.013692 (E_RNA)
where:
Base-Base interactions energy: -320.642
where: short stacking energy: -133.439
Base-Backbone interact. energy: -0.534
local terms energy: -132.837849
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -429.116285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.116285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.438520 (E_RNA)
where:
Base-Base interactions energy: -309.683
where: short stacking energy: -116.731
Base-Backbone interact. energy: 0.345
local terms energy: -120.100159
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.322 (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: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -394.030701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.030701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.921632 (E_RNA)
where:
Base-Base interactions energy: -287.707
where: short stacking energy: -116.830
Base-Backbone interact. energy: -0.679
local terms energy: -106.535905
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -23.817
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -26.803
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: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -540.627141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.627141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.703879 (E_RNA)
where:
Base-Base interactions energy: -380.062
where: short stacking energy: -158.685
Base-Backbone interact. energy: -0.452
local terms energy: -160.189880
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -35.756
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -44.226
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -529.782324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.782324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.969238 (E_RNA)
where:
Base-Base interactions energy: -375.912
where: short stacking energy: -147.514
Base-Backbone interact. energy: -0.471
local terms energy: -153.585866
where:
bonds (distance) C4'-P energy: -29.731
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -40.862
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -522.598230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.598230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.789345 (E_RNA)
where:
Base-Base interactions energy: -378.027
where: short stacking energy: -147.783
Base-Backbone interact. energy: -0.227
local terms energy: -144.534723
where:
bonds (distance) C4'-P energy: -26.277
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -37.879
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -500.223314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.223314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.370907 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -152.044
Base-Backbone interact. energy: -0.210
local terms energy: -135.653112
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -36.555
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -483.464565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.464565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.630956 (E_RNA)
where:
Base-Base interactions energy: -354.337
where: short stacking energy: -148.337
Base-Backbone interact. energy: -1.197
local terms energy: -128.097102
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -37.211
Dist. restrs. and SS energy: 0.166 (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: 228
Temperature: 1.150000
Total energy: -476.358991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.358991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.469305 (E_RNA)
where:
Base-Base interactions energy: -331.994
where: short stacking energy: -130.278
Base-Backbone interact. energy: -0.174
local terms energy: -144.300594
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -36.639
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -465.375398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.375398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.584375 (E_RNA)
where:
Base-Base interactions energy: -336.064
where: short stacking energy: -133.418
Base-Backbone interact. energy: -0.760
local terms energy: -128.760772
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -24.197
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -26.770
Dist. restrs. and SS energy: 0.209 (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: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -463.572425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.572425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.245542 (E_RNA)
where:
Base-Base interactions energy: -336.464
where: short stacking energy: -139.175
Base-Backbone interact. energy: -1.247
local terms energy: -126.534025
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -35.102
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -441.972061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.972061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.315022 (E_RNA)
where:
Base-Base interactions energy: -322.345
where: short stacking energy: -128.360
Base-Backbone interact. energy: -0.941
local terms energy: -119.028933
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -22.282
flat angles C4'-P-C4' energy: -28.264
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -32.006
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -419.500470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.500470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.608645 (E_RNA)
where:
Base-Base interactions energy: -296.548
where: short stacking energy: -107.332
Base-Backbone interact. energy: -1.190
local terms energy: -121.870377
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -29.913
Dist. restrs. and SS energy: 0.108 (S_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: 229
Temperature: 0.900000
Total energy: -527.846417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.846417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.185872 (E_RNA)
where:
Base-Base interactions energy: -371.445
where: short stacking energy: -157.125
Base-Backbone interact. energy: -0.582
local terms energy: -156.159428
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -44.182
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -524.944350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.944350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.122011 (E_RNA)
where:
Base-Base interactions energy: -371.331
where: short stacking energy: -149.504
Base-Backbone interact. energy: 0.396
local terms energy: -154.186957
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -36.984
Dist. restrs. and SS energy: 0.178 (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: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -517.803805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.803805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.007532 (E_RNA)
where:
Base-Base interactions energy: -354.023
where: short stacking energy: -148.378
Base-Backbone interact. energy: -0.434
local terms energy: -163.550916
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -36.541
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -498.999464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.999464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.238851 (E_RNA)
where:
Base-Base interactions energy: -351.822
where: short stacking energy: -153.045
Base-Backbone interact. energy: -1.187
local terms energy: -146.229390
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -33.259
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -506.704975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.704975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.736752 (E_RNA)
where:
Base-Base interactions energy: -353.356
where: short stacking energy: -128.985
Base-Backbone interact. energy: 0.355
local terms energy: -153.735743
where:
bonds (distance) C4'-P energy: -32.719
bonds (distance) P-C4' energy: -30.064
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -36.034
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -470.651814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.651814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.854049 (E_RNA)
where:
Base-Base interactions energy: -338.335
where: short stacking energy: -129.934
Base-Backbone interact. energy: 0.032
local terms energy: -132.551032
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -32.741
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -460.268738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.268738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.523083 (E_RNA)
where:
Base-Base interactions energy: -316.887
where: short stacking energy: -122.030
Base-Backbone interact. energy: 0.213
local terms energy: -143.849230
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -31.834
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -33.407
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -464.781143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.781143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.077882 (E_RNA)
where:
Base-Base interactions energy: -325.740
where: short stacking energy: -124.529
Base-Backbone interact. energy: -0.582
local terms energy: -138.756525
where:
bonds (distance) C4'-P energy: -27.595
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -37.176
Dist. restrs. and SS energy: 0.297 (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: 229
Temperature: 1.300000
Total energy: -419.259411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.259411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.610797 (E_RNA)
where:
Base-Base interactions energy: -300.758
where: short stacking energy: -122.138
Base-Backbone interact. energy: -0.060
local terms energy: -118.792867
where:
bonds (distance) C4'-P energy: -22.304
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -29.575
Dist. restrs. and SS energy: 0.351 (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: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -416.782766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.782766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.431672 (E_RNA)
where:
Base-Base interactions energy: -298.474
where: short stacking energy: -108.498
Base-Backbone interact. energy: -0.474
local terms energy: -118.483196
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -31.286
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -538.703515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.703515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.181152 (E_RNA)
where:
Base-Base interactions energy: -382.870
where: short stacking energy: -165.084
Base-Backbone interact. energy: -1.516
local terms energy: -154.795093
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -44.141
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -528.951726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.951726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.008751 (E_RNA)
where:
Base-Base interactions energy: -367.992
where: short stacking energy: -154.154
Base-Backbone interact. energy: -0.480
local terms energy: -160.536548
where:
bonds (distance) C4'-P energy: -31.810
bonds (distance) P-C4' energy: -31.861
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -40.045
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -509.605196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.605196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.696960 (E_RNA)
where:
Base-Base interactions energy: -360.813
where: short stacking energy: -143.176
Base-Backbone interact. energy: -0.453
local terms energy: -148.430522
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -39.822
Dist. restrs. and SS energy: 0.092 (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: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -509.344987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.344987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.702864 (E_RNA)
where:
Base-Base interactions energy: -360.466
where: short stacking energy: -149.227
Base-Backbone interact. energy: -0.408
local terms energy: -148.828033
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.358 (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: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -482.628808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.628808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.725774 (E_RNA)
where:
Base-Base interactions energy: -341.897
where: short stacking energy: -132.546
Base-Backbone interact. energy: 0.213
local terms energy: -141.041503
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -37.734
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -483.137240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.137240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.137240 (E_RNA)
where:
Base-Base interactions energy: -336.724
where: short stacking energy: -134.798
Base-Backbone interact. energy: -0.226
local terms energy: -146.187025
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -33.773
flat angles C4'-P-C4' energy: -34.463
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -36.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -465.052744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.052744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.563943 (E_RNA)
where:
Base-Base interactions energy: -324.578
where: short stacking energy: -132.963
Base-Backbone interact. energy: -1.067
local terms energy: -139.918190
where:
bonds (distance) C4'-P energy: -25.007
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -38.377
Dist. restrs. and SS energy: 0.511 (S_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: 230
Temperature: 1.250000
Total energy: -452.641770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.641770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.173973 (E_RNA)
where:
Base-Base interactions energy: -324.957
where: short stacking energy: -139.038
Base-Backbone interact. energy: 1.307
local terms energy: -129.523862
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -29.467
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -35.607
Dist. restrs. and SS energy: 0.532 (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: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -444.939060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.939060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.108696 (E_RNA)
where:
Base-Base interactions energy: -316.860
where: short stacking energy: -114.708
Base-Backbone interact. energy: -0.238
local terms energy: -128.010608
where:
bonds (distance) C4'-P energy: -26.853
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -410.827804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.827804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.021342 (E_RNA)
where:
Base-Base interactions energy: -284.777
where: short stacking energy: -108.920
Base-Backbone interact. energy: 0.307
local terms energy: -126.551379
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.194 (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: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -535.989894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.989894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.203072 (E_RNA)
where:
Base-Base interactions energy: -381.174
where: short stacking energy: -153.096
Base-Backbone interact. energy: -0.779
local terms energy: -154.250245
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -30.490
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -41.258
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -524.288271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.288271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.450048 (E_RNA)
where:
Base-Base interactions energy: -365.617
where: short stacking energy: -151.213
Base-Backbone interact. energy: -0.246
local terms energy: -158.587834
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: -40.446
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -516.205455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.205455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.292775 (E_RNA)
where:
Base-Base interactions energy: -364.950
where: short stacking energy: -146.889
Base-Backbone interact. energy: -0.287
local terms energy: -151.056125
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -39.241
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -498.591879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.591879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.698300 (E_RNA)
where:
Base-Base interactions energy: -343.627
where: short stacking energy: -139.474
Base-Backbone interact. energy: -2.158
local terms energy: -152.913140
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.106 (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: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -502.541410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.541410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.934572 (E_RNA)
where:
Base-Base interactions energy: -362.655
where: short stacking energy: -147.071
Base-Backbone interact. energy: -0.522
local terms energy: -139.758397
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -39.625
Dist. restrs. and SS energy: 0.393 (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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -461.413763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.413763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.692761 (E_RNA)
where:
Base-Base interactions energy: -322.671
where: short stacking energy: -125.593
Base-Backbone interact. energy: -1.142
local terms energy: -137.880037
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -22.691
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -460.675330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.675330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.922481 (E_RNA)
where:
Base-Base interactions energy: -332.416
where: short stacking energy: -119.915
Base-Backbone interact. energy: -0.665
local terms energy: -127.841177
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -27.004
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -32.076
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -483.964623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.964623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.380611 (E_RNA)
where:
Base-Base interactions energy: -347.162
where: short stacking energy: -139.042
Base-Backbone interact. energy: -0.422
local terms energy: -136.796611
where:
bonds (distance) C4'-P energy: -26.535
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -25.724
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.416 (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: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -449.156907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.156907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.343421 (E_RNA)
where:
Base-Base interactions energy: -321.332
where: short stacking energy: -118.419
Base-Backbone interact. energy: -0.485
local terms energy: -127.526920
where:
bonds (distance) C4'-P energy: -25.925
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -30.218
Dist. restrs. and SS energy: 0.187 (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: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -418.103145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.103145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.621507 (E_RNA)
where:
Base-Base interactions energy: -303.144
where: short stacking energy: -125.878
Base-Backbone interact. energy: -0.247
local terms energy: -115.231286
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -25.014
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -542.072354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.072354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.276877 (E_RNA)
where:
Base-Base interactions energy: -375.442
where: short stacking energy: -153.628
Base-Backbone interact. energy: 0.249
local terms energy: -167.083912
where:
bonds (distance) C4'-P energy: -32.956
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.205 (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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -527.684152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.684152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.775855 (E_RNA)
where:
Base-Base interactions energy: -372.258
where: short stacking energy: -158.511
Base-Backbone interact. energy: -1.082
local terms energy: -154.436252
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -43.982
Dist. restrs. and SS energy: 0.092 (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: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -507.085231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.085231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.466878 (E_RNA)
where:
Base-Base interactions energy: -352.779
where: short stacking energy: -144.401
Base-Backbone interact. energy: -0.240
local terms energy: -154.447770
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -38.060
Dist. restrs. and SS energy: 0.382 (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: 232
Temperature: 1.050000
Total energy: -508.280428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.280428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.990615 (E_RNA)
where:
Base-Base interactions energy: -364.797
where: short stacking energy: -132.591
Base-Backbone interact. energy: -0.230
local terms energy: -143.963867
where:
bonds (distance) C4'-P energy: -26.798
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -36.272
Dist. restrs. and SS energy: 0.710 (S_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: 232
Temperature: 1.100000
Total energy: -490.931959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.931959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.087162 (E_RNA)
where:
Base-Base interactions energy: -351.507
where: short stacking energy: -141.366
Base-Backbone interact. energy: -1.462
local terms energy: -138.117907
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.155 (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: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -467.440418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.440418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.139544 (E_RNA)
where:
Base-Base interactions energy: -337.587
where: short stacking energy: -134.314
Base-Backbone interact. energy: 3.955
local terms energy: -134.507366
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -27.731
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -474.310439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.310439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.810768 (E_RNA)
where:
Base-Base interactions energy: -338.019
where: short stacking energy: -132.206
Base-Backbone interact. energy: 0.587
local terms energy: -137.378811
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -34.889
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -476.449010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.449010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.757546 (E_RNA)
where:
Base-Base interactions energy: -348.195
where: short stacking energy: -129.892
Base-Backbone interact. energy: 0.978
local terms energy: -129.540282
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.309 (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: 232
Temperature: 1.300000
Total energy: -429.750474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.750474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.876598 (E_RNA)
where:
Base-Base interactions energy: -310.611
where: short stacking energy: -122.302
Base-Backbone interact. energy: -0.452
local terms energy: -118.813137
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -33.267
Dist. restrs. and SS energy: 0.126 (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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -442.056810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.056810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.462486 (E_RNA)
where:
Base-Base interactions energy: -315.269
where: short stacking energy: -123.480
Base-Backbone interact. energy: -0.235
local terms energy: -126.957790
where:
bonds (distance) C4'-P energy: -25.870
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.406 (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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -540.435257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.435257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.500916 (E_RNA)
where:
Base-Base interactions energy: -379.963
where: short stacking energy: -156.672
Base-Backbone interact. energy: -0.426
local terms energy: -160.112023
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -33.597
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -37.783
Dist. restrs. and SS energy: 0.066 (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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -531.029418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.029418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.126745 (E_RNA)
where:
Base-Base interactions energy: -376.163
where: short stacking energy: -145.984
Base-Backbone interact. energy: -2.927
local terms energy: -152.036227
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -496.681725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.681725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.842383 (E_RNA)
where:
Base-Base interactions energy: -350.871
where: short stacking energy: -138.770
Base-Backbone interact. energy: -0.436
local terms energy: -145.535280
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -33.667
Dist. restrs. and SS energy: 0.161 (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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -521.084265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.084265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.613856 (E_RNA)
where:
Base-Base interactions energy: -376.885
where: short stacking energy: -152.012
Base-Backbone interact. energy: -0.838
local terms energy: -143.890855
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -39.761
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -498.464247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.464247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.573348 (E_RNA)
where:
Base-Base interactions energy: -363.377
where: short stacking energy: -133.812
Base-Backbone interact. energy: -0.440
local terms energy: -134.755489
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -31.616
Dist. restrs. and SS energy: 0.109 (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: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -472.193702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.193702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.279512 (E_RNA)
where:
Base-Base interactions energy: -342.986
where: short stacking energy: -133.122
Base-Backbone interact. energy: -0.901
local terms energy: -128.391679
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -31.542
Dist. restrs. and SS energy: 0.086 (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: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -472.728642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.728642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.999425 (E_RNA)
where:
Base-Base interactions energy: -348.993
where: short stacking energy: -138.358
Base-Backbone interact. energy: 1.763
local terms energy: -125.769006
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -35.964
Dist. restrs. and SS energy: 0.271 (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: 233
Temperature: 1.250000
Total energy: -438.671440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.671440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.906571 (E_RNA)
where:
Base-Base interactions energy: -304.869
where: short stacking energy: -122.709
Base-Backbone interact. energy: -1.203
local terms energy: -132.834953
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -441.075705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.075705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.242271 (E_RNA)
where:
Base-Base interactions energy: -311.066
where: short stacking energy: -121.952
Base-Backbone interact. energy: -0.610
local terms energy: -129.566427
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -441.198921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.198921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.686044 (E_RNA)
where:
Base-Base interactions energy: -317.340
where: short stacking energy: -115.641
Base-Backbone interact. energy: -1.030
local terms energy: -123.316120
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -30.798
Dist. restrs. and SS energy: 0.487 (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: 234
Temperature: 0.900000
Total energy: -549.686218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.686218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.278192 (E_RNA)
where:
Base-Base interactions energy: -384.669
where: short stacking energy: -160.468
Base-Backbone interact. energy: -0.253
local terms energy: -165.356594
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -42.215
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -518.296706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.296706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.785787 (E_RNA)
where:
Base-Base interactions energy: -367.133
where: short stacking energy: -149.347
Base-Backbone interact. energy: 0.617
local terms energy: -152.269637
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -36.828
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -532.520980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.520980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.703284 (E_RNA)
where:
Base-Base interactions energy: -373.950
where: short stacking energy: -143.003
Base-Backbone interact. energy: -0.386
local terms energy: -158.367187
where:
bonds (distance) C4'-P energy: -31.817
bonds (distance) P-C4' energy: -31.786
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -35.132
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -491.350955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.350955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.722506 (E_RNA)
where:
Base-Base interactions energy: -349.058
where: short stacking energy: -140.883
Base-Backbone interact. energy: -0.370
local terms energy: -142.294360
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -29.190
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -35.060
Dist. restrs. and SS energy: 0.372 (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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -492.667977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.667977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.761307 (E_RNA)
where:
Base-Base interactions energy: -349.798
where: short stacking energy: -144.906
Base-Backbone interact. energy: 0.232
local terms energy: -143.195114
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -35.577
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -488.165353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.165353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.638592 (E_RNA)
where:
Base-Base interactions energy: -359.908
where: short stacking energy: -139.835
Base-Backbone interact. energy: 1.861
local terms energy: -130.591360
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -22.101
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.473 (S_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: 234
Temperature: 1.200000
Total energy: -480.418510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.418510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.833257 (E_RNA)
where:
Base-Base interactions energy: -331.400
where: short stacking energy: -132.266
Base-Backbone interact. energy: 2.251
local terms energy: -151.683524
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -31.745
flat angles C4'-P-C4' energy: -34.953
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -33.804
Dist. restrs. and SS energy: 0.415 (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: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -428.304803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.304803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.572721 (E_RNA)
where:
Base-Base interactions energy: -319.991
where: short stacking energy: -128.083
Base-Backbone interact. energy: -0.579
local terms energy: -108.003058
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -31.435
Dist. restrs. and SS energy: 0.268 (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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -441.917077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.917077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.989532 (E_RNA)
where:
Base-Base interactions energy: -304.236
where: short stacking energy: -110.402
Base-Backbone interact. energy: -0.767
local terms energy: -136.986203
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.072 (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: 234
Temperature: 1.350000
Total energy: -423.264630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.264630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.475481 (E_RNA)
where:
Base-Base interactions energy: -315.094
where: short stacking energy: -127.967
Base-Backbone interact. energy: -0.381
local terms energy: -107.999675
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -24.878
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -31.004
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -531.369521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.369521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.504824 (E_RNA)
where:
Base-Base interactions energy: -375.738
where: short stacking energy: -152.409
Base-Backbone interact. energy: -0.397
local terms energy: -155.369862
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -29.852
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: -36.218
Dist. restrs. and SS energy: 0.135 (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: 235
Temperature: 0.950000
Total energy: -530.469526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.469526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.794644 (E_RNA)
where:
Base-Base interactions energy: -387.521
where: short stacking energy: -155.134
Base-Backbone interact. energy: -0.634
local terms energy: -142.638849
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -26.734
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -38.057
Dist. restrs. and SS energy: 0.325 (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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -517.462675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.462675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.541769 (E_RNA)
where:
Base-Base interactions energy: -361.379
where: short stacking energy: -146.582
Base-Backbone interact. energy: -0.207
local terms energy: -155.955930
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -499.663338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.663338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.740086 (E_RNA)
where:
Base-Base interactions energy: -355.042
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.725
local terms energy: -143.973057
where:
bonds (distance) C4'-P energy: -25.167
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -41.428
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -474.843940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.843940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.847417 (E_RNA)
where:
Base-Base interactions energy: -342.792
where: short stacking energy: -135.958
Base-Backbone interact. energy: 0.022
local terms energy: -132.077964
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -22.263
tors. eta vs tors. theta energy: -37.923
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -469.710386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.710386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.855872 (E_RNA)
where:
Base-Base interactions energy: -330.519
where: short stacking energy: -133.191
Base-Backbone interact. energy: -0.513
local terms energy: -138.823961
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -19.269
tors. eta vs tors. theta energy: -31.576
Dist. restrs. and SS energy: 0.145 (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: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -469.359806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.001959 (E_RNA)
where:
Base-Base interactions energy: -332.354
where: short stacking energy: -123.549
Base-Backbone interact. energy: 0.640
local terms energy: -138.287737
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -449.245941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.245941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.490042 (E_RNA)
where:
Base-Base interactions energy: -328.971
where: short stacking energy: -126.906
Base-Backbone interact. energy: 0.213
local terms energy: -120.732179
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -27.728
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -25.180
Dist. restrs. and SS energy: 0.244 (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: 235
Temperature: 1.300000
Total energy: -420.791658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.791658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.661969 (E_RNA)
where:
Base-Base interactions energy: -288.007
where: short stacking energy: -116.062
Base-Backbone interact. energy: -0.567
local terms energy: -133.088147
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: -26.111
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: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -446.131857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.131857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.785298 (E_RNA)
where:
Base-Base interactions energy: -335.770
where: short stacking energy: -131.273
Base-Backbone interact. energy: -0.997
local terms energy: -110.018547
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -24.949
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -28.045
Dist. restrs. and SS energy: 0.653 (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: 236
Temperature: 0.900000
Total energy: -531.975892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.975892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.066924 (E_RNA)
where:
Base-Base interactions energy: -374.429
where: short stacking energy: -151.634
Base-Backbone interact. energy: -0.616
local terms energy: -157.021836
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -42.636
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -539.488012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.488012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.585617 (E_RNA)
where:
Base-Base interactions energy: -384.887
where: short stacking energy: -155.360
Base-Backbone interact. energy: 1.021
local terms energy: -155.718881
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -505.510838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.928530 (E_RNA)
where:
Base-Base interactions energy: -359.635
where: short stacking energy: -148.270
Base-Backbone interact. energy: -2.189
local terms energy: -144.104381
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -41.277
Dist. restrs. and SS energy: 0.418 (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: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -510.260725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.260725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.402378 (E_RNA)
where:
Base-Base interactions energy: -367.965
where: short stacking energy: -143.706
Base-Backbone interact. energy: -0.538
local terms energy: -141.899438
where:
bonds (distance) C4'-P energy: -26.219
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -34.874
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -41.036
Dist. restrs. and SS energy: 0.142 (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: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -501.067907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.067907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.256717 (E_RNA)
where:
Base-Base interactions energy: -354.285
where: short stacking energy: -137.834
Base-Backbone interact. energy: -0.073
local terms energy: -146.898290
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -36.674
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -464.105864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.105864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.213528 (E_RNA)
where:
Base-Base interactions energy: -341.195
where: short stacking energy: -128.894
Base-Backbone interact. energy: -0.841
local terms energy: -122.177340
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.108 (S_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: -464.975509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.975509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.502775 (E_RNA)
where:
Base-Base interactions energy: -334.159
where: short stacking energy: -134.501
Base-Backbone interact. energy: -0.890
local terms energy: -130.453853
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -36.887
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -447.677297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.677297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.996202 (E_RNA)
where:
Base-Base interactions energy: -327.852
where: short stacking energy: -128.216
Base-Backbone interact. energy: -0.608
local terms energy: -119.536147
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -32.880
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -481.977529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.977529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.073042 (E_RNA)
where:
Base-Base interactions energy: -348.961
where: short stacking energy: -134.540
Base-Backbone interact. energy: 2.530
local terms energy: -135.642654
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -35.530
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -30.160
Dist. restrs. and SS energy: 0.096 (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: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -398.074695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.074695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.884786 (E_RNA)
where:
Base-Base interactions energy: -282.284
where: short stacking energy: -110.062
Base-Backbone interact. energy: 1.086
local terms energy: -120.686471
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 3.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -527.106860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.106860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.256805 (E_RNA)
where:
Base-Base interactions energy: -372.184
where: short stacking energy: -151.501
Base-Backbone interact. energy: 0.561
local terms energy: -155.633506
where:
bonds (distance) C4'-P energy: -29.930
bonds (distance) P-C4' energy: -28.083
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -43.654
Dist. restrs. and SS energy: 0.150 (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: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -537.311484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.311484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.500330 (E_RNA)
where:
Base-Base interactions energy: -385.910
where: short stacking energy: -152.875
Base-Backbone interact. energy: -1.448
local terms energy: -150.143025
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -36.539
Dist. restrs. and SS energy: 0.189 (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: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -505.155368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.155368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.534026 (E_RNA)
where:
Base-Base interactions energy: -350.030
where: short stacking energy: -137.804
Base-Backbone interact. energy: -0.620
local terms energy: -154.884117
where:
bonds (distance) C4'-P energy: -33.138
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: -39.377
Dist. restrs. and SS energy: 0.379 (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: 237
Temperature: 1.050000
Total energy: -518.508922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.508922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.611528 (E_RNA)
where:
Base-Base interactions energy: -372.466
where: short stacking energy: -135.593
Base-Backbone interact. energy: -0.578
local terms energy: -145.568489
where:
bonds (distance) C4'-P energy: -26.377
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -32.979
Dist. restrs. and SS energy: 0.103 (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: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -499.386222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.386222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.539127 (E_RNA)
where:
Base-Base interactions energy: -357.031
where: short stacking energy: -146.376
Base-Backbone interact. energy: -0.578
local terms energy: -141.930805
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -478.477876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.477876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.820584 (E_RNA)
where:
Base-Base interactions energy: -338.676
where: short stacking energy: -129.716
Base-Backbone interact. energy: 0.487
local terms energy: -140.630837
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -468.899351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.899351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.062937 (E_RNA)
where:
Base-Base interactions energy: -342.610
where: short stacking energy: -131.495
Base-Backbone interact. energy: 0.147
local terms energy: -126.600370
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -30.119
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -38.378
Dist. restrs. and SS energy: 0.164 (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: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -450.967301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.967301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.134847 (E_RNA)
where:
Base-Base interactions energy: -313.541
where: short stacking energy: -121.496
Base-Backbone interact. energy: -0.631
local terms energy: -136.962789
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -37.111
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -442.248738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.248738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.689964 (E_RNA)
where:
Base-Base interactions energy: -319.696
where: short stacking energy: -123.803
Base-Backbone interact. energy: -0.968
local terms energy: -122.026363
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -29.871
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -415.927158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.927158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.381329 (E_RNA)
where:
Base-Base interactions energy: -300.991
where: short stacking energy: -114.075
Base-Backbone interact. energy: -0.418
local terms energy: -118.972460
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -29.490
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: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -527.334745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.334745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.388931 (E_RNA)
where:
Base-Base interactions energy: -381.979
where: short stacking energy: -152.102
Base-Backbone interact. energy: -0.696
local terms energy: -144.714296
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -36.829
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -510.287890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.715554 (E_RNA)
where:
Base-Base interactions energy: -355.026
where: short stacking energy: -140.704
Base-Backbone interact. energy: -0.962
local terms energy: -154.727359
where:
bonds (distance) C4'-P energy: -30.524
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -34.670
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: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -517.618995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.618995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.660970 (E_RNA)
where:
Base-Base interactions energy: -370.060
where: short stacking energy: -142.619
Base-Backbone interact. energy: -0.346
local terms energy: -147.254521
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -30.413
flat angles C4'-P-C4' energy: -30.004
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -41.664
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -517.386837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.386837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.431205 (E_RNA)
where:
Base-Base interactions energy: -362.539
where: short stacking energy: -151.038
Base-Backbone interact. energy: 2.046
local terms energy: -156.938112
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -45.582
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -494.386909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.386909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.514702 (E_RNA)
where:
Base-Base interactions energy: -355.825
where: short stacking energy: -138.744
Base-Backbone interact. energy: -1.501
local terms energy: -137.189173
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.128 (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: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -471.773081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.773081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.109234 (E_RNA)
where:
Base-Base interactions energy: -345.811
where: short stacking energy: -138.641
Base-Backbone interact. energy: -0.695
local terms energy: -125.602789
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -35.094
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -436.530788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.530788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.221095 (E_RNA)
where:
Base-Base interactions energy: -299.879
where: short stacking energy: -122.692
Base-Backbone interact. energy: -0.900
local terms energy: -136.442608
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -30.560
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: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -436.520670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.520670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.526142 (E_RNA)
where:
Base-Base interactions energy: -317.435
where: short stacking energy: -126.488
Base-Backbone interact. energy: 0.231
local terms energy: -119.322462
where:
bonds (distance) C4'-P energy: -26.340
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -29.967
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -425.992019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.992019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.100997 (E_RNA)
where:
Base-Base interactions energy: -304.333
where: short stacking energy: -120.573
Base-Backbone interact. energy: 1.143
local terms energy: -125.911226
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -27.482
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -27.889
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: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -451.928117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.928117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.368844 (E_RNA)
where:
Base-Base interactions energy: -331.365
where: short stacking energy: -134.134
Base-Backbone interact. energy: -0.386
local terms energy: -120.617886
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.441 (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: 239
Temperature: 0.900000
Total energy: -534.620884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.620884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.928203 (E_RNA)
where:
Base-Base interactions energy: -378.251
where: short stacking energy: -141.999
Base-Backbone interact. energy: 0.029
local terms energy: -156.706732
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -41.853
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -506.866712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.866712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.910973 (E_RNA)
where:
Base-Base interactions energy: -355.121
where: short stacking energy: -134.885
Base-Backbone interact. energy: -0.170
local terms energy: -151.619780
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -31.174
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -32.553
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -504.362863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.362863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.603554 (E_RNA)
where:
Base-Base interactions energy: -364.412
where: short stacking energy: -158.011
Base-Backbone interact. energy: -0.398
local terms energy: -139.793642
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.241 (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: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -511.123288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.123288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.204709 (E_RNA)
where:
Base-Base interactions energy: -353.089
where: short stacking energy: -142.613
Base-Backbone interact. energy: -0.102
local terms energy: -158.014229
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -43.754
Dist. restrs. and SS energy: 0.081 (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: 239
Temperature: 1.100000
Total energy: -481.124447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.560830 (E_RNA)
where:
Base-Base interactions energy: -333.831
where: short stacking energy: -134.038
Base-Backbone interact. energy: -0.476
local terms energy: -147.253623
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.436 (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: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -487.376625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.376625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.499033 (E_RNA)
where:
Base-Base interactions energy: -342.902
where: short stacking energy: -142.244
Base-Backbone interact. energy: -2.551
local terms energy: -142.045644
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -22.477
tors. eta vs tors. theta energy: -37.901
Dist. restrs. and SS energy: 0.122 (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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -461.130478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.130478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.721381 (E_RNA)
where:
Base-Base interactions energy: -329.996
where: short stacking energy: -133.434
Base-Backbone interact. energy: -0.440
local terms energy: -131.285248
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -26.277
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -29.102
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -436.348083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.348083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.262111 (E_RNA)
where:
Base-Base interactions energy: -307.591
where: short stacking energy: -136.224
Base-Backbone interact. energy: 1.664
local terms energy: -134.334387
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -35.289
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: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -447.921084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.921084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.642530 (E_RNA)
where:
Base-Base interactions energy: -323.356
where: short stacking energy: -121.173
Base-Backbone interact. energy: -0.530
local terms energy: -124.756251
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -32.740
Dist. restrs. and SS energy: 0.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -439.976703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.976703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.102815 (E_RNA)
where:
Base-Base interactions energy: -317.187
where: short stacking energy: -121.046
Base-Backbone interact. energy: -0.690
local terms energy: -122.225861
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -28.795
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -32.137
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -527.372709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.372709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.486136 (E_RNA)
where:
Base-Base interactions energy: -376.952
where: short stacking energy: -151.060
Base-Backbone interact. energy: 1.668
local terms energy: -152.202498
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -523.235657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.235657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.453765 (E_RNA)
where:
Base-Base interactions energy: -369.648
where: short stacking energy: -150.101
Base-Backbone interact. energy: -0.316
local terms energy: -153.489680
where:
bonds (distance) C4'-P energy: -32.302
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. 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: -519.241902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.241902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.318770 (E_RNA)
where:
Base-Base interactions energy: -361.608
where: short stacking energy: -147.529
Base-Backbone interact. energy: -0.603
local terms energy: -157.107756
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -38.254
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -501.885935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.885935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.968651 (E_RNA)
where:
Base-Base interactions energy: -354.468
where: short stacking energy: -147.503
Base-Backbone interact. energy: -0.355
local terms energy: -147.145415
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -39.207
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -477.081790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.081790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.960047 (E_RNA)
where:
Base-Base interactions energy: -337.407
where: short stacking energy: -136.533
Base-Backbone interact. energy: -0.307
local terms energy: -143.245873
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -27.615
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -21.225
tors. eta vs tors. theta energy: -41.032
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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -475.672945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.672945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.893509 (E_RNA)
where:
Base-Base interactions energy: -337.685
where: short stacking energy: -138.134
Base-Backbone interact. energy: 0.929
local terms energy: -139.137499
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -17.695
tors. eta vs tors. theta energy: -31.665
Dist. restrs. and SS energy: 0.221 (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: 240
Temperature: 1.200000
Total energy: -452.010106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.010106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.583456 (E_RNA)
where:
Base-Base interactions energy: -323.959
where: short stacking energy: -123.995
Base-Backbone interact. energy: 0.390
local terms energy: -129.014402
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -443.531096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.531096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.827831 (E_RNA)
where:
Base-Base interactions energy: -313.100
where: short stacking energy: -121.523
Base-Backbone interact. energy: -0.194
local terms energy: -130.533863
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -446.667050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.667050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.937055 (E_RNA)
where:
Base-Base interactions energy: -308.175
where: short stacking energy: -124.669
Base-Backbone interact. energy: -0.584
local terms energy: -138.177973
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -30.150
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -31.801
Dist. restrs. and SS energy: 0.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -437.023359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.023359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.355182 (E_RNA)
where:
Base-Base interactions energy: -316.010
where: short stacking energy: -122.595
Base-Backbone interact. energy: -0.998
local terms energy: -120.346842
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -33.168
Dist. restrs. and SS energy: 0.332 (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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -528.294752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.294752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.342628 (E_RNA)
where:
Base-Base interactions energy: -372.338
where: short stacking energy: -153.447
Base-Backbone interact. energy: -0.186
local terms energy: -155.818674
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -40.684
Dist. restrs. and SS energy: 0.048 (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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -529.649574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.649574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.027746 (E_RNA)
where:
Base-Base interactions energy: -374.866
where: short stacking energy: -151.476
Base-Backbone interact. energy: -0.502
local terms energy: -154.659394
where:
bonds (distance) C4'-P energy: -27.255
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -35.819
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -42.211
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -513.792823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.792823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.120389 (E_RNA)
where:
Base-Base interactions energy: -367.754
where: short stacking energy: -157.810
Base-Backbone interact. energy: -0.711
local terms energy: -145.655353
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -24.749
flat angles C4'-P-C4' energy: -31.215
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -503.233308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.233308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.517260 (E_RNA)
where:
Base-Base interactions energy: -358.570
where: short stacking energy: -149.584
Base-Backbone interact. energy: -0.250
local terms energy: -144.696887
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -34.029
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -36.758
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -486.792736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.792736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.283588 (E_RNA)
where:
Base-Base interactions energy: -350.923
where: short stacking energy: -146.375
Base-Backbone interact. energy: -0.422
local terms energy: -135.938494
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -40.131
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -447.839459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.992942 (E_RNA)
where:
Base-Base interactions energy: -326.914
where: short stacking energy: -124.864
Base-Backbone interact. energy: 2.655
local terms energy: -123.734324
where:
bonds (distance) C4'-P energy: -24.735
bonds (distance) P-C4' energy: -24.387
flat angles C4'-P-C4' energy: -33.347
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -24.221
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -474.044047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.044047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.348033 (E_RNA)
where:
Base-Base interactions energy: -336.161
where: short stacking energy: -133.895
Base-Backbone interact. energy: -1.252
local terms energy: -136.935640
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -38.056
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -471.706489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.706489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.435849 (E_RNA)
where:
Base-Base interactions energy: -330.888
where: short stacking energy: -138.237
Base-Backbone interact. energy: -1.195
local terms energy: -140.353001
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.729 (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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -399.996908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.996908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.328072 (E_RNA)
where:
Base-Base interactions energy: -279.126
where: short stacking energy: -100.595
Base-Backbone interact. energy: -0.837
local terms energy: -120.365258
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -29.007
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -421.295112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.295112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.980016 (E_RNA)
where:
Base-Base interactions energy: -294.789
where: short stacking energy: -113.739
Base-Backbone interact. energy: -0.333
local terms energy: -126.857840
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.685 (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: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -532.141615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.141615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.467808 (E_RNA)
where:
Base-Base interactions energy: -384.209
where: short stacking energy: -160.688
Base-Backbone interact. energy: 2.127
local terms energy: -150.386146
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -36.430
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -37.947
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -529.003023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.003023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.072863 (E_RNA)
where:
Base-Base interactions energy: -372.576
where: short stacking energy: -145.577
Base-Backbone interact. energy: -0.758
local terms energy: -155.739141
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -25.556
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -42.581
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -517.308422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.308422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.656676 (E_RNA)
where:
Base-Base interactions energy: -354.943
where: short stacking energy: -153.724
Base-Backbone interact. energy: -0.060
local terms energy: -162.653480
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -44.895
Dist. restrs. and SS energy: 0.348 (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: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -500.486882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.486882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.822205 (E_RNA)
where:
Base-Base interactions energy: -349.099
where: short stacking energy: -147.951
Base-Backbone interact. energy: -0.587
local terms energy: -151.135867
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -25.261
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: -40.947
Dist. restrs. and SS energy: 0.335 (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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -481.810935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.810935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.975880 (E_RNA)
where:
Base-Base interactions energy: -334.547
where: short stacking energy: -137.047
Base-Backbone interact. energy: -0.495
local terms energy: -146.934121
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -29.415
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -35.879
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -446.557198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.557198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.610409 (E_RNA)
where:
Base-Base interactions energy: -315.708
where: short stacking energy: -128.748
Base-Backbone interact. energy: -0.164
local terms energy: -130.739278
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -28.162
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -462.323725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.323725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.427370 (E_RNA)
where:
Base-Base interactions energy: -331.452
where: short stacking energy: -131.897
Base-Backbone interact. energy: -0.130
local terms energy: -130.845551
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -31.378
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -449.238828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.238828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.287815 (E_RNA)
where:
Base-Base interactions energy: -327.586
where: short stacking energy: -125.166
Base-Backbone interact. energy: -0.683
local terms energy: -121.019153
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -31.894
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -432.804419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.804419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.156931 (E_RNA)
where:
Base-Base interactions energy: -307.303
where: short stacking energy: -125.136
Base-Backbone interact. energy: -0.611
local terms energy: -125.243037
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -30.491
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -402.246650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.246650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.862746 (E_RNA)
where:
Base-Base interactions energy: -295.516
where: short stacking energy: -116.911
Base-Backbone interact. energy: 0.362
local terms energy: -107.709088
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -32.399
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: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -537.956120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.353547 (E_RNA)
where:
Base-Base interactions energy: -371.686
where: short stacking energy: -155.015
Base-Backbone interact. energy: -0.088
local terms energy: -166.579300
where:
bonds (distance) C4'-P energy: -31.006
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -40.488
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -537.258417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.258417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.423815 (E_RNA)
where:
Base-Base interactions energy: -372.345
where: short stacking energy: -152.579
Base-Backbone interact. energy: -0.344
local terms energy: -164.734392
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -31.603
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -42.072
Dist. restrs. and SS energy: 0.165 (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: 243
Temperature: 1.000000
Total energy: -497.330102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.330102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.412089 (E_RNA)
where:
Base-Base interactions energy: -355.770
where: short stacking energy: -145.858
Base-Backbone interact. energy: -0.358
local terms energy: -141.283981
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -33.653
Dist. restrs. and SS energy: 0.082 (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: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -505.938375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.938375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.092764 (E_RNA)
where:
Base-Base interactions energy: -352.205
where: short stacking energy: -142.096
Base-Backbone interact. energy: -0.349
local terms energy: -153.538904
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -39.477
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -484.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.539914 (E_RNA)
where:
Base-Base interactions energy: -343.832
where: short stacking energy: -143.123
Base-Backbone interact. energy: -0.744
local terms energy: -139.964548
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -41.209
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -486.894959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.894959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.495165 (E_RNA)
where:
Base-Base interactions energy: -347.696
where: short stacking energy: -131.699
Base-Backbone interact. energy: -1.541
local terms energy: -138.258221
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -37.594
Dist. restrs. and SS energy: 0.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -447.864296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.864296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.111107 (E_RNA)
where:
Base-Base interactions energy: -316.443
where: short stacking energy: -123.882
Base-Backbone interact. energy: -0.624
local terms energy: -131.043992
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -30.043
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -454.604566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.604566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.910695 (E_RNA)
where:
Base-Base interactions energy: -317.401
where: short stacking energy: -124.131
Base-Backbone interact. energy: -0.657
local terms energy: -136.852982
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -436.583635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.583635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.695253 (E_RNA)
where:
Base-Base interactions energy: -309.879
where: short stacking energy: -122.967
Base-Backbone interact. energy: -0.424
local terms energy: -126.392603
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -30.029
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.112 (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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -420.556529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.556529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.886820 (E_RNA)
where:
Base-Base interactions energy: -295.722
where: short stacking energy: -120.705
Base-Backbone interact. energy: -0.891
local terms energy: -126.273944
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -27.895
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -32.954
Dist. restrs. and SS energy: 2.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -541.969865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.969865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.329806 (E_RNA)
where:
Base-Base interactions energy: -382.993
where: short stacking energy: -158.044
Base-Backbone interact. energy: -0.461
local terms energy: -158.875500
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -522.187564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.187564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.326785 (E_RNA)
where:
Base-Base interactions energy: -378.855
where: short stacking energy: -151.398
Base-Backbone interact. energy: -0.448
local terms energy: -143.023046
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -21.981
tors. eta vs tors. theta energy: -40.914
Dist. restrs. and SS energy: 0.139 (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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -507.753252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.753252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.045270 (E_RNA)
where:
Base-Base interactions energy: -349.607
where: short stacking energy: -144.811
Base-Backbone interact. energy: -0.256
local terms energy: -158.181891
where:
bonds (distance) C4'-P energy: -30.909
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -499.875264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.875264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.479620 (E_RNA)
where:
Base-Base interactions energy: -358.408
where: short stacking energy: -149.667
Base-Backbone interact. energy: -0.485
local terms energy: -141.587057
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -35.188
Dist. restrs. and SS energy: 0.604 (S_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: 244
Temperature: 1.100000
Total energy: -495.969181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.969181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.251487 (E_RNA)
where:
Base-Base interactions energy: -364.209
where: short stacking energy: -141.189
Base-Backbone interact. energy: -0.409
local terms energy: -131.633903
where:
bonds (distance) C4'-P energy: -26.285
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -36.806
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: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -487.937927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.937927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.571211 (E_RNA)
where:
Base-Base interactions energy: -346.312
where: short stacking energy: -149.929
Base-Backbone interact. energy: -0.365
local terms energy: -141.894885
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -26.284
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -38.409
Dist. restrs. and SS energy: 0.633 (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: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -446.173273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.173273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.316485 (E_RNA)
where:
Base-Base interactions energy: -320.334
where: short stacking energy: -125.477
Base-Backbone interact. energy: -0.631
local terms energy: -125.351167
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -28.973
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -438.773089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.773089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.156260 (E_RNA)
where:
Base-Base interactions energy: -311.412
where: short stacking energy: -119.695
Base-Backbone interact. energy: 0.764
local terms energy: -128.508513
where:
bonds (distance) C4'-P energy: -31.261
bonds (distance) P-C4' energy: -26.761
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -30.762
Dist. restrs. and SS energy: 0.383 (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: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -437.595327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.595327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.691905 (E_RNA)
where:
Base-Base interactions energy: -313.481
where: short stacking energy: -130.771
Base-Backbone interact. energy: 0.352
local terms energy: -124.562708
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -37.013
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -407.309223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.309223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.056848 (E_RNA)
where:
Base-Base interactions energy: -294.366
where: short stacking energy: -109.682
Base-Backbone interact. energy: -0.461
local terms energy: -114.230038
where:
bonds (distance) C4'-P energy: -24.303
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -29.542
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: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -548.452327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.452327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.655395 (E_RNA)
where:
Base-Base interactions energy: -389.645
where: short stacking energy: -158.146
Base-Backbone interact. energy: 0.316
local terms energy: -159.326641
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -30.030
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -39.547
Dist. restrs. and SS energy: 0.203 (S_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: 245
Temperature: 0.950000
Total energy: -526.549833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.910612 (E_RNA)
where:
Base-Base interactions energy: -364.337
where: short stacking energy: -161.882
Base-Backbone interact. energy: -0.817
local terms energy: -161.756623
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -40.323
Dist. restrs. and SS energy: 0.361 (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: 245
Temperature: 1.000000
Total energy: -507.150484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.197541 (E_RNA)
where:
Base-Base interactions energy: -350.687
where: short stacking energy: -148.809
Base-Backbone interact. energy: 0.419
local terms energy: -156.929553
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -40.092
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -503.634705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.634705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.846084 (E_RNA)
where:
Base-Base interactions energy: -365.800
where: short stacking energy: -151.005
Base-Backbone interact. energy: -0.442
local terms energy: -137.604043
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -36.766
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -501.192923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.192923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.585928 (E_RNA)
where:
Base-Base interactions energy: -358.786
where: short stacking energy: -135.901
Base-Backbone interact. energy: -0.346
local terms energy: -142.453905
where:
bonds (distance) C4'-P energy: -29.124
bonds (distance) P-C4' energy: -25.508
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -38.354
Dist. restrs. and SS energy: 0.393 (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: 245
Temperature: 1.150000
Total energy: -484.412454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.412454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.768835 (E_RNA)
where:
Base-Base interactions energy: -345.897
where: short stacking energy: -138.102
Base-Backbone interact. energy: -0.117
local terms energy: -138.754491
where:
bonds (distance) C4'-P energy: -21.169
bonds (distance) P-C4' energy: -29.029
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -468.066807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.391941 (E_RNA)
where:
Base-Base interactions energy: -339.054
where: short stacking energy: -133.206
Base-Backbone interact. energy: -1.012
local terms energy: -128.325468
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -29.688
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -35.998
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -443.985966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.985966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.087564 (E_RNA)
where:
Base-Base interactions energy: -314.237
where: short stacking energy: -128.912
Base-Backbone interact. energy: -0.000
local terms energy: -129.850216
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -18.025
tors. eta vs tors. theta energy: -33.604
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -454.229518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.229518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.475458 (E_RNA)
where:
Base-Base interactions energy: -324.288
where: short stacking energy: -125.519
Base-Backbone interact. energy: 0.210
local terms energy: -130.397665
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -29.627
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.246 (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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -396.645543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.645543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.334553 (E_RNA)
where:
Base-Base interactions energy: -291.921
where: short stacking energy: -113.114
Base-Backbone interact. energy: -0.373
local terms energy: -105.040399
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.689 (S_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: 246
Temperature: 0.900000
Total energy: -534.763418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.763418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.106830 (E_RNA)
where:
Base-Base interactions energy: -379.929
where: short stacking energy: -162.436
Base-Backbone interact. energy: 0.653
local terms energy: -155.831729
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -41.100
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -525.494412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.494412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.666906 (E_RNA)
where:
Base-Base interactions energy: -375.569
where: short stacking energy: -145.209
Base-Backbone interact. energy: -0.485
local terms energy: -149.613714
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -25.818
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.172 (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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -504.827268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.114864 (E_RNA)
where:
Base-Base interactions energy: -348.499
where: short stacking energy: -139.933
Base-Backbone interact. energy: 0.659
local terms energy: -157.274705
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -41.288
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -485.406612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.406612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.739389 (E_RNA)
where:
Base-Base interactions energy: -334.684
where: short stacking energy: -144.438
Base-Backbone interact. energy: -0.969
local terms energy: -150.086205
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -39.905
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -487.314989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.314989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.466571 (E_RNA)
where:
Base-Base interactions energy: -347.505
where: short stacking energy: -128.383
Base-Backbone interact. energy: -0.482
local terms energy: -139.479784
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -37.447
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -482.739610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.739610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.749810 (E_RNA)
where:
Base-Base interactions energy: -348.962
where: short stacking energy: -137.634
Base-Backbone interact. energy: -0.753
local terms energy: -133.035082
where:
bonds (distance) C4'-P energy: -28.169
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.010 (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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -467.988478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.988478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.113231 (E_RNA)
where:
Base-Base interactions energy: -330.138
where: short stacking energy: -132.946
Base-Backbone interact. energy: -0.997
local terms energy: -136.978166
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -41.030
Dist. restrs. and SS energy: 0.125 (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: 246
Temperature: 1.250000
Total energy: -455.886068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.886068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.174466 (E_RNA)
where:
Base-Base interactions energy: -324.663
where: short stacking energy: -128.544
Base-Backbone interact. energy: 0.482
local terms energy: -131.993553
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -15.809
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -438.912396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.912396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.366117 (E_RNA)
where:
Base-Base interactions energy: -313.940
where: short stacking energy: -122.395
Base-Backbone interact. energy: 2.113
local terms energy: -127.539075
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.454 (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: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -421.923541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.923541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.144587 (E_RNA)
where:
Base-Base interactions energy: -294.769
where: short stacking energy: -109.564
Base-Backbone interact. energy: -0.413
local terms energy: -126.962565
where:
bonds (distance) C4'-P energy: -22.665
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -26.360
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -534.907898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.907898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.024192 (E_RNA)
where:
Base-Base interactions energy: -385.283
where: short stacking energy: -151.338
Base-Backbone interact. energy: -0.715
local terms energy: -149.026688
where:
bonds (distance) C4'-P energy: -29.581
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -37.975
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -518.284906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.284906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.816048 (E_RNA)
where:
Base-Base interactions energy: -360.769
where: short stacking energy: -156.885
Base-Backbone interact. energy: 1.224
local terms energy: -159.270746
where:
bonds (distance) C4'-P energy: -31.493
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -40.597
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: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -512.295586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.295586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.414883 (E_RNA)
where:
Base-Base interactions energy: -370.727
where: short stacking energy: -145.175
Base-Backbone interact. energy: -0.622
local terms energy: -141.066092
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -508.786305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.786305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.529707 (E_RNA)
where:
Base-Base interactions energy: -360.452
where: short stacking energy: -145.644
Base-Backbone interact. energy: -0.432
local terms energy: -148.645203
where:
bonds (distance) C4'-P energy: -27.801
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -43.013
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -509.693337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.693337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.917747 (E_RNA)
where:
Base-Base interactions energy: -366.194
where: short stacking energy: -142.539
Base-Backbone interact. energy: -0.323
local terms energy: -143.401166
where:
bonds (distance) C4'-P energy: -24.856
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -33.914
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -477.137649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.485774 (E_RNA)
where:
Base-Base interactions energy: -331.514
where: short stacking energy: -141.298
Base-Backbone interact. energy: -0.255
local terms energy: -145.716268
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -30.917
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -42.273
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -464.649733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.649733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.950341 (E_RNA)
where:
Base-Base interactions energy: -343.832
where: short stacking energy: -129.915
Base-Backbone interact. energy: -1.068
local terms energy: -120.050348
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -24.697
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: -34.484
Dist. restrs. and SS energy: 0.301 (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: 247
Temperature: 1.250000
Total energy: -466.312085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.312085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.410342 (E_RNA)
where:
Base-Base interactions energy: -333.650
where: short stacking energy: -133.485
Base-Backbone interact. energy: -0.319
local terms energy: -132.441376
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -34.449
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -426.655595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.655595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.893838 (E_RNA)
where:
Base-Base interactions energy: -315.372
where: short stacking energy: -122.842
Base-Backbone interact. energy: -0.399
local terms energy: -111.123044
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.238 (S_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: 247
Temperature: 1.350000
Total energy: -406.645420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.645420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.859189 (E_RNA)
where:
Base-Base interactions energy: -278.192
where: short stacking energy: -101.362
Base-Backbone interact. energy: -0.299
local terms energy: -128.367363
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -27.834
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.214 (S_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: 248
Temperature: 0.900000
Total energy: -540.109704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.109704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.362520 (E_RNA)
where:
Base-Base interactions energy: -373.139
where: short stacking energy: -159.953
Base-Backbone interact. energy: -2.102
local terms energy: -165.121733
where:
bonds (distance) C4'-P energy: -31.723
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -535.134523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.134523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.388053 (E_RNA)
where:
Base-Base interactions energy: -383.272
where: short stacking energy: -152.488
Base-Backbone interact. energy: -0.387
local terms energy: -151.729250
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -33.290
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -41.376
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -520.497293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.497293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.577878 (E_RNA)
where:
Base-Base interactions energy: -360.725
where: short stacking energy: -142.112
Base-Backbone interact. energy: -0.332
local terms energy: -159.520448
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -29.378
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -44.900
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -505.443508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.443508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.615158 (E_RNA)
where:
Base-Base interactions energy: -360.062
where: short stacking energy: -144.223
Base-Backbone interact. energy: 0.960
local terms energy: -146.513081
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -478.790768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.790768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.058993 (E_RNA)
where:
Base-Base interactions energy: -337.092
where: short stacking energy: -134.206
Base-Backbone interact. energy: -0.813
local terms energy: -141.154035
where:
bonds (distance) C4'-P energy: -30.331
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.268 (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: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -466.906789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.906789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.595384 (E_RNA)
where:
Base-Base interactions energy: -331.689
where: short stacking energy: -137.776
Base-Backbone interact. energy: -1.106
local terms energy: -134.800597
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -28.958
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -36.128
Dist. restrs. and SS energy: 0.689 (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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -443.149084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.149084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.399172 (E_RNA)
where:
Base-Base interactions energy: -294.219
where: short stacking energy: -117.823
Base-Backbone interact. energy: -0.747
local terms energy: -148.432919
where:
bonds (distance) C4'-P energy: -28.077
bonds (distance) P-C4' energy: -33.845
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -444.283332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.283332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.472859 (E_RNA)
where:
Base-Base interactions energy: -319.961
where: short stacking energy: -117.667
Base-Backbone interact. energy: 1.550
local terms energy: -126.061264
where:
bonds (distance) C4'-P energy: -26.046
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -19.603
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -415.988047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.988047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.218423 (E_RNA)
where:
Base-Base interactions energy: -305.259
where: short stacking energy: -115.126
Base-Backbone interact. energy: 3.818
local terms energy: -114.776719
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -405.975477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.975477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.362162 (E_RNA)
where:
Base-Base interactions energy: -286.334
where: short stacking energy: -105.157
Base-Backbone interact. energy: -1.444
local terms energy: -118.584783
where:
bonds (distance) C4'-P energy: -21.111
bonds (distance) P-C4' energy: -25.509
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -541.037793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.037793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.098704 (E_RNA)
where:
Base-Base interactions energy: -375.086
where: short stacking energy: -165.329
Base-Backbone interact. energy: -0.340
local terms energy: -165.672737
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -33.145
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -47.037
Dist. restrs. and SS energy: 0.061 (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: 249
Temperature: 0.950000
Total energy: -533.959641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.959641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.159821 (E_RNA)
where:
Base-Base interactions energy: -368.789
where: short stacking energy: -151.112
Base-Backbone interact. energy: -0.594
local terms energy: -164.776616
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -40.648
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -514.299627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.299627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.698525 (E_RNA)
where:
Base-Base interactions energy: -362.582
where: short stacking energy: -151.894
Base-Backbone interact. energy: -0.411
local terms energy: -151.704704
where:
bonds (distance) C4'-P energy: -30.575
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -522.277575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.277575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.462743 (E_RNA)
where:
Base-Base interactions energy: -372.827
where: short stacking energy: -152.863
Base-Backbone interact. energy: -0.415
local terms energy: -149.220700
where:
bonds (distance) C4'-P energy: -31.105
bonds (distance) P-C4' energy: -30.704
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -35.993
Dist. restrs. and SS energy: 0.185 (S_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: 249
Temperature: 1.100000
Total energy: -483.670611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.670611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.204292 (E_RNA)
where:
Base-Base interactions energy: -345.647
where: short stacking energy: -143.651
Base-Backbone interact. energy: -0.254
local terms energy: -138.303160
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -27.102
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -37.871
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -485.568881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.568881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.776746 (E_RNA)
where:
Base-Base interactions energy: -348.302
where: short stacking energy: -142.024
Base-Backbone interact. energy: 0.941
local terms energy: -138.415719
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -35.488
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -456.334859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.334859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.502992 (E_RNA)
where:
Base-Base interactions energy: -316.966
where: short stacking energy: -127.957
Base-Backbone interact. energy: 0.072
local terms energy: -139.608501
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -30.411
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -452.320824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.320824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.528162 (E_RNA)
where:
Base-Base interactions energy: -327.696
where: short stacking energy: -127.878
Base-Backbone interact. energy: -0.886
local terms energy: -123.945599
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -32.265
Dist. restrs. and SS energy: 0.207 (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: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -420.509598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.509598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.002494 (E_RNA)
where:
Base-Base interactions energy: -296.724
where: short stacking energy: -116.722
Base-Backbone interact. energy: 0.440
local terms energy: -124.718261
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -25.458
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -397.363625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.363625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.774009 (E_RNA)
where:
Base-Base interactions energy: -287.404
where: short stacking energy: -110.534
Base-Backbone interact. energy: -2.400
local terms energy: -107.970365
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.410 (S_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: 250
Temperature: 0.900000
Total energy: -536.532192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.532192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.631046 (E_RNA)
where:
Base-Base interactions energy: -386.213
where: short stacking energy: -155.983
Base-Backbone interact. energy: -0.062
local terms energy: -150.356153
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -22.845
tors. eta vs tors. theta energy: -39.796
Dist. restrs. and SS energy: 0.099 (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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -523.655091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.655091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.769348 (E_RNA)
where:
Base-Base interactions energy: -367.479
where: short stacking energy: -155.514
Base-Backbone interact. energy: -0.690
local terms energy: -155.600098
where:
bonds (distance) C4'-P energy: -30.807
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: -42.747
Dist. restrs. and SS energy: 0.114 (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: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -519.978114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.978114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.182597 (E_RNA)
where:
Base-Base interactions energy: -366.227
where: short stacking energy: -156.442
Base-Backbone interact. energy: -0.937
local terms energy: -153.018777
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -27.490
flat angles C4'-P-C4' energy: -31.532
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -510.567227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.567227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.916123 (E_RNA)
where:
Base-Base interactions energy: -362.197
where: short stacking energy: -131.844
Base-Backbone interact. energy: -0.565
local terms energy: -148.154023
where:
bonds (distance) C4'-P energy: -31.425
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.349 (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: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -478.440746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.440746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.644684 (E_RNA)
where:
Base-Base interactions energy: -344.530
where: short stacking energy: -136.026
Base-Backbone interact. energy: -0.114
local terms energy: -134.000871
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -28.701
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -488.435134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.435134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.570429 (E_RNA)
where:
Base-Base interactions energy: -352.412
where: short stacking energy: -136.814
Base-Backbone interact. energy: 1.529
local terms energy: -137.687179
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -31.041
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -466.886787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.886787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.003806 (E_RNA)
where:
Base-Base interactions energy: -331.006
where: short stacking energy: -126.437
Base-Backbone interact. energy: 0.560
local terms energy: -136.557860
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -460.455735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.455735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.456408 (E_RNA)
where:
Base-Base interactions energy: -326.203
where: short stacking energy: -122.250
Base-Backbone interact. energy: -0.829
local terms energy: -133.424134
where:
bonds (distance) C4'-P energy: -29.397
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -30.535
Dist. restrs. and SS energy: 0.001 (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: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -398.820609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.820609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.193465 (E_RNA)
where:
Base-Base interactions energy: -284.572
where: short stacking energy: -105.342
Base-Backbone interact. energy: -0.602
local terms energy: -114.020088
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -407.703348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.703348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.785947 (E_RNA)
where:
Base-Base interactions energy: -286.971
where: short stacking energy: -110.918
Base-Backbone interact. energy: -0.961
local terms energy: -119.854783
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -29.321
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.083 (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: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -543.040244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.040244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.183413 (E_RNA)
where:
Base-Base interactions energy: -386.406
where: short stacking energy: -164.695
Base-Backbone interact. energy: -0.159
local terms energy: -156.618402
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -43.975
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -525.696249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.696249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.831126 (E_RNA)
where:
Base-Base interactions energy: -369.070
where: short stacking energy: -151.557
Base-Backbone interact. energy: -0.810
local terms energy: -155.950949
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -38.500
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -515.392811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.392811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.457036 (E_RNA)
where:
Base-Base interactions energy: -373.570
where: short stacking energy: -141.779
Base-Backbone interact. energy: -0.563
local terms energy: -141.324219
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -26.043
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -38.044
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -514.621781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.621781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.760000 (E_RNA)
where:
Base-Base interactions energy: -364.972
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.402
local terms energy: -149.386198
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -26.694
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -24.176
tors. eta vs tors. theta energy: -39.069
Dist. restrs. and SS energy: 0.138 (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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -509.738732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.738732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.814423 (E_RNA)
where:
Base-Base interactions energy: -367.287
where: short stacking energy: -152.832
Base-Backbone interact. energy: 1.933
local terms energy: -144.461206
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -42.793
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -491.814980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.814980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.438013 (E_RNA)
where:
Base-Base interactions energy: -345.684
where: short stacking energy: -144.290
Base-Backbone interact. energy: -0.179
local terms energy: -146.574045
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -38.527
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -470.211322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.211322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.342358 (E_RNA)
where:
Base-Base interactions energy: -329.627
where: short stacking energy: -144.974
Base-Backbone interact. energy: -0.735
local terms energy: -139.980316
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -39.673
Dist. restrs. and SS energy: 0.131 (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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -460.178930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.178930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.853293 (E_RNA)
where:
Base-Base interactions energy: -325.207
where: short stacking energy: -126.651
Base-Backbone interact. energy: -0.015
local terms energy: -135.631027
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -29.648
Dist. restrs. and SS energy: 0.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -408.085722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.085722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.614522 (E_RNA)
where:
Base-Base interactions energy: -293.432
where: short stacking energy: -114.935
Base-Backbone interact. energy: -1.228
local terms energy: -113.953776
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -29.316
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -400.517672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.517672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.901582 (E_RNA)
where:
Base-Base interactions energy: -289.619
where: short stacking energy: -110.722
Base-Backbone interact. energy: -0.765
local terms energy: -110.517963
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -539.146863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.146863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.378648 (E_RNA)
where:
Base-Base interactions energy: -376.717
where: short stacking energy: -153.616
Base-Backbone interact. energy: -0.078
local terms energy: -162.583061
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -43.567
Dist. restrs. and SS energy: 0.232 (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: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -533.317138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.317138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.450119 (E_RNA)
where:
Base-Base interactions energy: -365.084
where: short stacking energy: -154.507
Base-Backbone interact. energy: 0.418
local terms energy: -168.784630
where:
bonds (distance) C4'-P energy: -33.294
bonds (distance) P-C4' energy: -34.561
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -41.458
Dist. restrs. and SS energy: 0.133 (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: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -508.079037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.079037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.107249 (E_RNA)
where:
Base-Base interactions energy: -353.313
where: short stacking energy: -148.455
Base-Backbone interact. energy: -0.644
local terms energy: -154.149723
where:
bonds (distance) C4'-P energy: -30.319
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -33.672
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -33.356
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -513.144353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.144353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.248208 (E_RNA)
where:
Base-Base interactions energy: -361.550
where: short stacking energy: -142.851
Base-Backbone interact. energy: -0.176
local terms energy: -151.522934
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -24.721
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.104 (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: -496.737952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.737952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.389333 (E_RNA)
where:
Base-Base interactions energy: -348.180
where: short stacking energy: -135.836
Base-Backbone interact. energy: -0.096
local terms energy: -149.114012
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -40.257
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -486.070546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.070546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.310266 (E_RNA)
where:
Base-Base interactions energy: -359.199
where: short stacking energy: -153.779
Base-Backbone interact. energy: 0.034
local terms energy: -127.145298
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -39.950
Dist. restrs. and SS energy: 0.240 (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: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -489.733355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.733355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.929716 (E_RNA)
where:
Base-Base interactions energy: -355.223
where: short stacking energy: -146.466
Base-Backbone interact. energy: -0.866
local terms energy: -133.841290
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -37.332
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -458.723343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.723343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.962051 (E_RNA)
where:
Base-Base interactions energy: -317.968
where: short stacking energy: -117.360
Base-Backbone interact. energy: -1.299
local terms energy: -139.694782
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -34.221
Dist. restrs. and SS energy: 0.239 (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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -428.288531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.288531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.533984 (E_RNA)
where:
Base-Base interactions energy: -306.472
where: short stacking energy: -119.214
Base-Backbone interact. energy: -0.551
local terms energy: -121.511622
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -27.660
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.245 (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: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -389.829458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.829458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.694310 (E_RNA)
where:
Base-Base interactions energy: -275.496
where: short stacking energy: -99.641
Base-Backbone interact. energy: 3.231
local terms energy: -119.429246
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -21.164
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -535.144709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.144709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.518738 (E_RNA)
where:
Base-Base interactions energy: -375.886
where: short stacking energy: -155.772
Base-Backbone interact. energy: -0.886
local terms energy: -158.746737
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -31.837
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -40.411
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: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -506.963683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.963683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.026310 (E_RNA)
where:
Base-Base interactions energy: -356.394
where: short stacking energy: -146.029
Base-Backbone interact. energy: 1.053
local terms energy: -151.686063
where:
bonds (distance) C4'-P energy: -30.235
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -31.685
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: 0.063 (S_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: 253
Temperature: 1.000000
Total energy: -513.292450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.292450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.569200 (E_RNA)
where:
Base-Base interactions energy: -363.021
where: short stacking energy: -145.637
Base-Backbone interact. energy: -0.256
local terms energy: -150.292165
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -40.154
Dist. restrs. and SS energy: 0.277 (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: 253
Temperature: 1.050000
Total energy: -501.247309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.247309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.306891 (E_RNA)
where:
Base-Base interactions energy: -351.649
where: short stacking energy: -142.444
Base-Backbone interact. energy: -0.017
local terms energy: -149.640775
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -37.173
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -486.381763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.381763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.520745 (E_RNA)
where:
Base-Base interactions energy: -350.363
where: short stacking energy: -139.041
Base-Backbone interact. energy: -0.343
local terms energy: -135.815214
where:
bonds (distance) C4'-P energy: -20.221
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -18.343
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -494.114103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.114103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.232011 (E_RNA)
where:
Base-Base interactions energy: -351.384
where: short stacking energy: -135.030
Base-Backbone interact. energy: 1.747
local terms energy: -144.595272
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -29.782
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -33.984
Dist. restrs. and SS energy: 0.118 (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: 253
Temperature: 1.200000
Total energy: -459.340030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.340030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.023676 (E_RNA)
where:
Base-Base interactions energy: -327.823
where: short stacking energy: -136.759
Base-Backbone interact. energy: 0.367
local terms energy: -132.567982
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -29.582
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -31.861
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -460.126376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.126376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.224613 (E_RNA)
where:
Base-Base interactions energy: -333.560
where: short stacking energy: -124.820
Base-Backbone interact. energy: -0.230
local terms energy: -126.434905
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -29.945
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -428.393946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.393946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.616604 (E_RNA)
where:
Base-Base interactions energy: -302.341
where: short stacking energy: -108.365
Base-Backbone interact. energy: -0.768
local terms energy: -125.507797
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -23.999
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -418.085232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.085232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.955065 (E_RNA)
where:
Base-Base interactions energy: -299.156
where: short stacking energy: -116.830
Base-Backbone interact. energy: -1.015
local terms energy: -118.784330
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -26.768
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: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -522.545596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.545596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.662930 (E_RNA)
where:
Base-Base interactions energy: -363.607
where: short stacking energy: -152.210
Base-Backbone interact. energy: -0.266
local terms energy: -158.789530
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 0.117 (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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -517.827304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.827304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.143206 (E_RNA)
where:
Base-Base interactions energy: -366.103
where: short stacking energy: -150.403
Base-Backbone interact. energy: 5.399
local terms energy: -157.439337
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -33.290
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -40.435
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -505.469631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.469631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.936233 (E_RNA)
where:
Base-Base interactions energy: -358.378
where: short stacking energy: -134.915
Base-Backbone interact. energy: -0.901
local terms energy: -146.657055
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -36.122
Dist. restrs. and SS energy: 0.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -507.198186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.198186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.259816 (E_RNA)
where:
Base-Base interactions energy: -363.514
where: short stacking energy: -149.781
Base-Backbone interact. energy: 2.125
local terms energy: -145.871218
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -40.350
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -496.267137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.267137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.903341 (E_RNA)
where:
Base-Base interactions energy: -342.750
where: short stacking energy: -140.291
Base-Backbone interact. energy: -0.583
local terms energy: -153.569716
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -40.374
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: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -475.607945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.076663 (E_RNA)
where:
Base-Base interactions energy: -342.206
where: short stacking energy: -136.628
Base-Backbone interact. energy: -0.827
local terms energy: -133.043328
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -470.517626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.517626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.128091 (E_RNA)
where:
Base-Base interactions energy: -322.525
where: short stacking energy: -131.322
Base-Backbone interact. energy: -0.365
local terms energy: -148.238429
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -32.223
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -444.644462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.644462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.877011 (E_RNA)
where:
Base-Base interactions energy: -325.430
where: short stacking energy: -132.757
Base-Backbone interact. energy: -0.641
local terms energy: -118.805800
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -30.950
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -413.873473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.873473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.254690 (E_RNA)
where:
Base-Base interactions energy: -296.120
where: short stacking energy: -115.599
Base-Backbone interact. energy: 0.051
local terms energy: -118.185953
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -26.026
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.381 (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: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -410.959486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.959486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.105547 (E_RNA)
where:
Base-Base interactions energy: -293.594
where: short stacking energy: -109.608
Base-Backbone interact. energy: -1.189
local terms energy: -116.322220
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -29.892
Dist. restrs. and SS energy: 0.146 (S_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: -536.415127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.415127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.454922 (E_RNA)
where:
Base-Base interactions energy: -374.335
where: short stacking energy: -151.786
Base-Backbone interact. energy: -0.797
local terms energy: -161.323195
where:
bonds (distance) C4'-P energy: -31.739
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -24.524
tors. eta vs tors. theta energy: -40.403
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -522.950778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.950778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.052629 (E_RNA)
where:
Base-Base interactions energy: -378.154
where: short stacking energy: -156.989
Base-Backbone interact. energy: -0.828
local terms energy: -144.070445
where:
bonds (distance) C4'-P energy: -25.834
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -504.266461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.266461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.917803 (E_RNA)
where:
Base-Base interactions energy: -369.640
where: short stacking energy: -141.676
Base-Backbone interact. energy: -0.380
local terms energy: -134.898349
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -23.080
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -34.626
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: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -485.942166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.942166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.186953 (E_RNA)
where:
Base-Base interactions energy: -334.534
where: short stacking energy: -134.659
Base-Backbone interact. energy: -0.555
local terms energy: -151.097927
where:
bonds (distance) C4'-P energy: -32.012
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -37.323
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -496.966491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.966491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.345927 (E_RNA)
where:
Base-Base interactions energy: -347.100
where: short stacking energy: -147.823
Base-Backbone interact. energy: -0.354
local terms energy: -149.891901
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -470.470684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.470684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.177890 (E_RNA)
where:
Base-Base interactions energy: -321.204
where: short stacking energy: -135.110
Base-Backbone interact. energy: -0.458
local terms energy: -149.515973
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -35.037
Dist. restrs. and SS energy: 0.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -463.455961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.455961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.275122 (E_RNA)
where:
Base-Base interactions energy: -330.354
where: short stacking energy: -127.787
Base-Backbone interact. energy: 2.617
local terms energy: -136.538145
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -33.047
flat angles C4'-P-C4' energy: -24.700
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -32.052
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: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -463.113919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.113919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.785004 (E_RNA)
where:
Base-Base interactions energy: -337.671
where: short stacking energy: -137.160
Base-Backbone interact. energy: -0.294
local terms energy: -125.820062
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -36.731
Dist. restrs. and SS energy: 0.671 (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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -415.404156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.404156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.304475 (E_RNA)
where:
Base-Base interactions energy: -293.982
where: short stacking energy: -116.587
Base-Backbone interact. energy: -0.788
local terms energy: -121.534189
where:
bonds (distance) C4'-P energy: -22.093
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -32.712
Dist. restrs. and SS energy: 0.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -419.729614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.729614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.148450 (E_RNA)
where:
Base-Base interactions energy: -299.482
where: short stacking energy: -119.595
Base-Backbone interact. energy: 0.645
local terms energy: -121.311392
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -26.048
flat angles C4'-P-C4' energy: -26.797
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -534.470361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.470361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.528731 (E_RNA)
where:
Base-Base interactions energy: -379.262
where: short stacking energy: -148.526
Base-Backbone interact. energy: -0.542
local terms energy: -154.725486
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -27.383
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -36.839
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -532.312738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.312738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.620551 (E_RNA)
where:
Base-Base interactions energy: -369.619
where: short stacking energy: -152.832
Base-Backbone interact. energy: -2.428
local terms energy: -160.573021
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.308 (S_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: 256
Temperature: 1.000000
Total energy: -497.429168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.429168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.691602 (E_RNA)
where:
Base-Base interactions energy: -349.382
where: short stacking energy: -141.655
Base-Backbone interact. energy: -0.569
local terms energy: -147.740431
where:
bonds (distance) C4'-P energy: -31.598
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -15.662
tors. eta vs tors. theta energy: -39.313
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -513.061012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.061012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.061128 (E_RNA)
where:
Base-Base interactions energy: -359.738
where: short stacking energy: -139.682
Base-Backbone interact. energy: -0.700
local terms energy: -152.623141
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -37.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -480.782249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.782249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.112143 (E_RNA)
where:
Base-Base interactions energy: -339.007
where: short stacking energy: -146.790
Base-Backbone interact. energy: -0.310
local terms energy: -141.794592
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -29.786
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -37.868
Dist. restrs. and SS energy: 0.330 (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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -465.172835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.172835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.335768 (E_RNA)
where:
Base-Base interactions energy: -326.825
where: short stacking energy: -137.603
Base-Backbone interact. energy: -1.053
local terms energy: -137.457475
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -35.303
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -454.770391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.770391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.900160 (E_RNA)
where:
Base-Base interactions energy: -330.456
where: short stacking energy: -125.695
Base-Backbone interact. energy: 1.564
local terms energy: -126.008203
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -459.750173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.750173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.486979 (E_RNA)
where:
Base-Base interactions energy: -339.693
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.425
local terms energy: -120.368524
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -35.219
Dist. restrs. and SS energy: 0.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -429.710893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.710893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.173606 (E_RNA)
where:
Base-Base interactions energy: -296.935
where: short stacking energy: -118.400
Base-Backbone interact. energy: -1.641
local terms energy: -131.597900
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -29.977
flat angles C4'-P-C4' energy: -25.141
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -31.424
Dist. restrs. and SS energy: 0.463 (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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -410.993631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.993631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.557932 (E_RNA)
where:
Base-Base interactions energy: -303.248
where: short stacking energy: -121.834
Base-Backbone interact. energy: 1.456
local terms energy: -109.766363
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -27.803
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: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -528.056153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.056153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.107089 (E_RNA)
where:
Base-Base interactions energy: -371.236
where: short stacking energy: -157.318
Base-Backbone interact. energy: 0.697
local terms energy: -157.567685
where:
bonds (distance) C4'-P energy: -23.828
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -31.577
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -44.860
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -523.623929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.623929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.850279 (E_RNA)
where:
Base-Base interactions energy: -366.904
where: short stacking energy: -155.051
Base-Backbone interact. energy: -0.522
local terms energy: -156.423843
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -44.198
Dist. restrs. and SS energy: 0.226 (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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -521.608013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.608013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.664453 (E_RNA)
where:
Base-Base interactions energy: -367.362
where: short stacking energy: -153.337
Base-Backbone interact. energy: -1.574
local terms energy: -152.728445
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -37.595
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -511.959469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.959469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.099013 (E_RNA)
where:
Base-Base interactions energy: -364.798
where: short stacking energy: -152.344
Base-Backbone interact. energy: -1.279
local terms energy: -146.022585
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -39.656
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -483.264956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.264956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.196252 (E_RNA)
where:
Base-Base interactions energy: -341.219
where: short stacking energy: -137.562
Base-Backbone interact. energy: 0.901
local terms energy: -143.877504
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -37.932
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -467.190792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.190792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.624946 (E_RNA)
where:
Base-Base interactions energy: -327.113
where: short stacking energy: -127.876
Base-Backbone interact. energy: 1.524
local terms energy: -142.036177
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -35.078
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -34.037
Dist. restrs. and SS energy: 0.434 (S_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: 257
Temperature: 1.200000
Total energy: -481.046815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.046815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.571718 (E_RNA)
where:
Base-Base interactions energy: -341.475
where: short stacking energy: -133.761
Base-Backbone interact. energy: -0.533
local terms energy: -139.563250
where:
bonds (distance) C4'-P energy: -27.709
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -30.731
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -32.361
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -457.462377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.462377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.677141 (E_RNA)
where:
Base-Base interactions energy: -329.503
where: short stacking energy: -130.849
Base-Backbone interact. energy: -0.305
local terms energy: -127.869763
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -34.754
Dist. restrs. and SS energy: 0.215 (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: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -407.637273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.637273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.456153 (E_RNA)
where:
Base-Base interactions energy: -297.730
where: short stacking energy: -115.874
Base-Backbone interact. energy: -0.217
local terms energy: -110.508643
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -23.482
flat angles P-C4'-P energy: -21.354
tors. eta vs tors. theta energy: -22.727
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: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -418.798813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.798813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.618641 (E_RNA)
where:
Base-Base interactions energy: -300.323
where: short stacking energy: -113.468
Base-Backbone interact. energy: 0.512
local terms energy: -119.807917
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -521.401351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.401351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.501796 (E_RNA)
where:
Base-Base interactions energy: -367.993
where: short stacking energy: -143.270
Base-Backbone interact. energy: 0.606
local terms energy: -154.115676
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -36.194
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -528.041330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.041330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.144902 (E_RNA)
where:
Base-Base interactions energy: -361.413
where: short stacking energy: -155.295
Base-Backbone interact. energy: -1.271
local terms energy: -165.461044
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -45.130
Dist. restrs. and SS energy: 0.104 (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: 258
Temperature: 1.000000
Total energy: -520.202826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.202826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.308463 (E_RNA)
where:
Base-Base interactions energy: -365.667
where: short stacking energy: -161.520
Base-Backbone interact. energy: -1.856
local terms energy: -152.785665
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -41.845
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -514.189531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.189531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.401395 (E_RNA)
where:
Base-Base interactions energy: -367.259
where: short stacking energy: -147.755
Base-Backbone interact. energy: 1.449
local terms energy: -148.591395
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -37.492
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -486.000891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.000891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.140628 (E_RNA)
where:
Base-Base interactions energy: -341.709
where: short stacking energy: -138.893
Base-Backbone interact. energy: 0.822
local terms energy: -145.253649
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -38.212
Dist. restrs. and SS energy: 0.140 (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: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -488.225726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.225726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.542606 (E_RNA)
where:
Base-Base interactions energy: -347.264
where: short stacking energy: -135.977
Base-Backbone interact. energy: -0.262
local terms energy: -141.016279
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -37.277
Dist. restrs. and SS energy: 0.317 (S_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: -479.405621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.405621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.978676 (E_RNA)
where:
Base-Base interactions energy: -344.588
where: short stacking energy: -136.401
Base-Backbone interact. energy: -1.370
local terms energy: -134.020742
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -29.849
flat angles C4'-P-C4' energy: -33.315
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -465.515661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.515661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.012554 (E_RNA)
where:
Base-Base interactions energy: -340.629
where: short stacking energy: -134.548
Base-Backbone interact. energy: -1.172
local terms energy: -124.212307
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -19.534
tors. eta vs tors. theta energy: -33.665
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: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -422.349378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.349378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.487584 (E_RNA)
where:
Base-Base interactions energy: -302.023
where: short stacking energy: -115.739
Base-Backbone interact. energy: 0.165
local terms energy: -120.629272
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -26.207
Dist. restrs. and SS energy: 0.138 (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: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -417.533957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.533957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.162889 (E_RNA)
where:
Base-Base interactions energy: -294.054
where: short stacking energy: -117.128
Base-Backbone interact. energy: -0.610
local terms energy: -123.497979
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.629 (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: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -526.343326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.343326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.393381 (E_RNA)
where:
Base-Base interactions energy: -380.213
where: short stacking energy: -154.194
Base-Backbone interact. energy: 0.535
local terms energy: -146.715812
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -30.065
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -508.171756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.626748 (E_RNA)
where:
Base-Base interactions energy: -364.534
where: short stacking energy: -136.824
Base-Backbone interact. energy: -0.597
local terms energy: -143.495330
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -34.348
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -31.210
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -500.217525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.217525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.920042 (E_RNA)
where:
Base-Base interactions energy: -349.148
where: short stacking energy: -143.710
Base-Backbone interact. energy: -0.810
local terms energy: -150.962339
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -34.008
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -37.424
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -508.226743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.226743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.378913 (E_RNA)
where:
Base-Base interactions energy: -363.343
where: short stacking energy: -148.834
Base-Backbone interact. energy: -0.575
local terms energy: -144.460004
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -40.517
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -491.070609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.070609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.157019 (E_RNA)
where:
Base-Base interactions energy: -345.866
where: short stacking energy: -148.253
Base-Backbone interact. energy: -0.716
local terms energy: -144.575328
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -479.919304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.919304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.060742 (E_RNA)
where:
Base-Base interactions energy: -327.300
where: short stacking energy: -135.412
Base-Backbone interact. energy: -0.783
local terms energy: -151.978077
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -35.092
Dist. restrs. and SS energy: 0.141 (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: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -448.598470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.598470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.862767 (E_RNA)
where:
Base-Base interactions energy: -328.010
where: short stacking energy: -128.370
Base-Backbone interact. energy: -0.317
local terms energy: -120.535691
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -446.035223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.035223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.567772 (E_RNA)
where:
Base-Base interactions energy: -313.816
where: short stacking energy: -129.530
Base-Backbone interact. energy: -0.106
local terms energy: -132.645662
where:
bonds (distance) C4'-P energy: -23.866
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -28.948
Dist. restrs. and SS energy: 0.533 (S_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: 259
Temperature: 1.300000
Total energy: -427.022108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.022108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.680093 (E_RNA)
where:
Base-Base interactions energy: -309.224
where: short stacking energy: -113.295
Base-Backbone interact. energy: -0.711
local terms energy: -117.744710
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -29.396
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: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -404.839086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.839086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.592548 (E_RNA)
where:
Base-Base interactions energy: -288.097
where: short stacking energy: -110.827
Base-Backbone interact. energy: -0.929
local terms energy: -116.566649
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -513.994499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.994499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.001580 (E_RNA)
where:
Base-Base interactions energy: -370.050
where: short stacking energy: -154.728
Base-Backbone interact. energy: -0.602
local terms energy: -143.349594
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -29.789
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -34.152
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -507.630042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.630042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.066901 (E_RNA)
where:
Base-Base interactions energy: -359.805
where: short stacking energy: -146.637
Base-Backbone interact. energy: -0.374
local terms energy: -147.888250
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -35.826
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -525.399608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.399608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.014613 (E_RNA)
where:
Base-Base interactions energy: -365.560
where: short stacking energy: -140.527
Base-Backbone interact. energy: -0.580
local terms energy: -159.875456
where:
bonds (distance) C4'-P energy: -33.638
bonds (distance) P-C4' energy: -29.931
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -39.958
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -497.105994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.105994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.522883 (E_RNA)
where:
Base-Base interactions energy: -345.795
where: short stacking energy: -141.292
Base-Backbone interact. energy: -0.203
local terms energy: -151.524750
where:
bonds (distance) C4'-P energy: -32.917
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -27.579
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.417 (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: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -470.154570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.154570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.284389 (E_RNA)
where:
Base-Base interactions energy: -337.323
where: short stacking energy: -136.072
Base-Backbone interact. energy: 1.161
local terms energy: -136.123141
where:
bonds (distance) C4'-P energy: -23.686
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -31.023
Dist. restrs. and SS energy: 2.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -484.978379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.978379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.101187 (E_RNA)
where:
Base-Base interactions energy: -352.525
where: short stacking energy: -139.977
Base-Backbone interact. energy: 1.021
local terms energy: -133.597303
where:
bonds (distance) C4'-P energy: -21.495
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.123 (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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -455.533505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.533505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.747985 (E_RNA)
where:
Base-Base interactions energy: -320.791
where: short stacking energy: -132.344
Base-Backbone interact. energy: -0.082
local terms energy: -134.874579
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -38.186
Dist. restrs. and SS energy: 0.214 (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: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -454.704834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.704834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.873794 (E_RNA)
where:
Base-Base interactions energy: -337.985
where: short stacking energy: -136.920
Base-Backbone interact. energy: -0.561
local terms energy: -116.328305
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.169 (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: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -424.216405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.216405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.544916 (E_RNA)
where:
Base-Base interactions energy: -298.168
where: short stacking energy: -116.302
Base-Backbone interact. energy: -0.747
local terms energy: -125.629930
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -34.403
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -29.902
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -405.666718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.666718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.567900 (E_RNA)
where:
Base-Base interactions energy: -291.459
where: short stacking energy: -114.235
Base-Backbone interact. energy: -0.290
local terms energy: -114.819328
where:
bonds (distance) C4'-P energy: -28.889
bonds (distance) P-C4' energy: -22.972
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -529.049300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.049300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.117940 (E_RNA)
where:
Base-Base interactions energy: -374.011
where: short stacking energy: -152.311
Base-Backbone interact. energy: 0.818
local terms energy: -155.924232
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -44.680
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -532.523228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.523228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.662691 (E_RNA)
where:
Base-Base interactions energy: -381.670
where: short stacking energy: -150.792
Base-Backbone interact. energy: 0.029
local terms energy: -151.021439
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -26.947
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -42.191
Dist. restrs. and SS energy: 0.139 (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: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -511.316925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.316925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.505172 (E_RNA)
where:
Base-Base interactions energy: -364.228
where: short stacking energy: -144.143
Base-Backbone interact. energy: 0.552
local terms energy: -147.828897
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -510.268282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.268282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.416594 (E_RNA)
where:
Base-Base interactions energy: -370.765
where: short stacking energy: -141.673
Base-Backbone interact. energy: 0.275
local terms energy: -139.927021
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -491.110440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.400051 (E_RNA)
where:
Base-Base interactions energy: -341.518
where: short stacking energy: -139.844
Base-Backbone interact. energy: 1.551
local terms energy: -151.433695
where:
bonds (distance) C4'-P energy: -28.178
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -41.984
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -496.390090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.390090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.497787 (E_RNA)
where:
Base-Base interactions energy: -354.812
where: short stacking energy: -150.962
Base-Backbone interact. energy: -0.062
local terms energy: -141.624542
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -39.153
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -460.242104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.242104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.474716 (E_RNA)
where:
Base-Base interactions energy: -329.118
where: short stacking energy: -122.436
Base-Backbone interact. energy: 0.018
local terms energy: -131.374694
where:
bonds (distance) C4'-P energy: -24.962
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -25.898
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -34.374
Dist. restrs. and SS energy: 0.233 (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: 261
Temperature: 1.250000
Total energy: -459.879742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.879742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.938172 (E_RNA)
where:
Base-Base interactions energy: -329.929
where: short stacking energy: -133.393
Base-Backbone interact. energy: 1.441
local terms energy: -131.449773
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.058 (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: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -413.213113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.213113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.030070 (E_RNA)
where:
Base-Base interactions energy: -292.770
where: short stacking energy: -106.045
Base-Backbone interact. energy: -0.644
local terms energy: -120.615791
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -425.938690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.938690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.144173 (E_RNA)
where:
Base-Base interactions energy: -301.362
where: short stacking energy: -118.816
Base-Backbone interact. energy: -0.337
local terms energy: -124.445785
where:
bonds (distance) C4'-P energy: -22.612
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -32.882
Dist. restrs. and SS energy: 0.205 (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: 262
Temperature: 0.900000
Total energy: -536.916740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.916740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.136743 (E_RNA)
where:
Base-Base interactions energy: -380.810
where: short stacking energy: -159.030
Base-Backbone interact. energy: 2.280
local terms energy: -158.607317
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -30.851
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -42.675
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -512.442912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.442912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.502916 (E_RNA)
where:
Base-Base interactions energy: -361.767
where: short stacking energy: -143.708
Base-Backbone interact. energy: -0.748
local terms energy: -149.988073
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -28.760
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -21.203
tors. eta vs tors. theta energy: -38.927
Dist. restrs. and SS energy: 0.060 (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: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -519.299799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.299799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.594850 (E_RNA)
where:
Base-Base interactions energy: -365.387
where: short stacking energy: -156.522
Base-Backbone interact. energy: -0.339
local terms energy: -153.868982
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -30.968
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -40.776
Dist. restrs. and SS energy: 0.295 (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: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -484.124927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.124927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.368139 (E_RNA)
where:
Base-Base interactions energy: -329.895
where: short stacking energy: -128.685
Base-Backbone interact. energy: -1.222
local terms energy: -153.250346
where:
bonds (distance) C4'-P energy: -33.091
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -503.090026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.090026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.370043 (E_RNA)
where:
Base-Base interactions energy: -352.101
where: short stacking energy: -140.210
Base-Backbone interact. energy: -0.741
local terms energy: -150.528475
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -28.658
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -39.654
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -486.674208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.674208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.974080 (E_RNA)
where:
Base-Base interactions energy: -350.277
where: short stacking energy: -130.019
Base-Backbone interact. energy: -0.857
local terms energy: -135.839878
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -34.836
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -463.577294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.577294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.205124 (E_RNA)
where:
Base-Base interactions energy: -328.825
where: short stacking energy: -120.454
Base-Backbone interact. energy: -0.440
local terms energy: -134.940739
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -36.246
Dist. restrs. and SS energy: 0.628 (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: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -436.104027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.104027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.137483 (E_RNA)
where:
Base-Base interactions energy: -317.364
where: short stacking energy: -119.633
Base-Backbone interact. energy: -0.310
local terms energy: -118.463918
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -31.639
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -411.866976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.866976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.161846 (E_RNA)
where:
Base-Base interactions energy: -290.706
where: short stacking energy: -113.463
Base-Backbone interact. energy: -1.648
local terms energy: -119.807779
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -419.358091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.358091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.599464 (E_RNA)
where:
Base-Base interactions energy: -301.241
where: short stacking energy: -114.068
Base-Backbone interact. energy: 0.765
local terms energy: -119.123419
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.241 (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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -534.314135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.314135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.564464 (E_RNA)
where:
Base-Base interactions energy: -378.008
where: short stacking energy: -162.969
Base-Backbone interact. energy: 0.132
local terms energy: -156.688483
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -519.158149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.158149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.493050 (E_RNA)
where:
Base-Base interactions energy: -361.243
where: short stacking energy: -156.592
Base-Backbone interact. energy: -0.413
local terms energy: -157.836893
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -40.229
Dist. restrs. and SS energy: 0.335 (S_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: 263
Temperature: 1.000000
Total energy: -519.878530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.878530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.190536 (E_RNA)
where:
Base-Base interactions energy: -368.394
where: short stacking energy: -137.833
Base-Backbone interact. energy: -0.285
local terms energy: -151.511636
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -35.550
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -500.450884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.450884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.898565 (E_RNA)
where:
Base-Base interactions energy: -350.109
where: short stacking energy: -138.856
Base-Backbone interact. energy: -1.648
local terms energy: -149.141509
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -37.833
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -499.876551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.876551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.057559 (E_RNA)
where:
Base-Base interactions energy: -355.368
where: short stacking energy: -149.155
Base-Backbone interact. energy: -0.804
local terms energy: -143.885897
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.181 (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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -467.910942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.910942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.095333 (E_RNA)
where:
Base-Base interactions energy: -324.901
where: short stacking energy: -127.026
Base-Backbone interact. energy: -0.475
local terms energy: -142.719659
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -25.139
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: -34.076
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -458.801190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.801190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.973895 (E_RNA)
where:
Base-Base interactions energy: -332.001
where: short stacking energy: -121.788
Base-Backbone interact. energy: 0.266
local terms energy: -127.238422
where:
bonds (distance) C4'-P energy: -27.858
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.173 (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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -437.586946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.586946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.087471 (E_RNA)
where:
Base-Base interactions energy: -310.895
where: short stacking energy: -129.107
Base-Backbone interact. energy: -0.368
local terms energy: -126.824819
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -30.542
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -439.507220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.507220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.262960 (E_RNA)
where:
Base-Base interactions energy: -320.438
where: short stacking energy: -121.404
Base-Backbone interact. energy: -0.590
local terms energy: -119.235088
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: -30.565
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: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -410.319517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.319517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.638868 (E_RNA)
where:
Base-Base interactions energy: -277.224
where: short stacking energy: -102.717
Base-Backbone interact. energy: -0.916
local terms energy: -132.499226
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -29.323
Dist. restrs. and SS energy: 0.319 (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: 264
Temperature: 0.900000
Total energy: -549.651136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.651136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.972328 (E_RNA)
where:
Base-Base interactions energy: -381.836
where: short stacking energy: -166.306
Base-Backbone interact. energy: -0.297
local terms energy: -167.839471
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.321 (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: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -521.636795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.636795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.777758 (E_RNA)
where:
Base-Base interactions energy: -361.331
where: short stacking energy: -145.851
Base-Backbone interact. energy: -0.318
local terms energy: -160.128819
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -34.305
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -519.915640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.915640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.216804 (E_RNA)
where:
Base-Base interactions energy: -365.072
where: short stacking energy: -148.959
Base-Backbone interact. energy: -1.202
local terms energy: -153.942846
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -40.424
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -509.325620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.325620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.652502 (E_RNA)
where:
Base-Base interactions energy: -361.346
where: short stacking energy: -152.889
Base-Backbone interact. energy: -0.785
local terms energy: -147.522181
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -35.658
Dist. restrs. and SS energy: 0.327 (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: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -489.926571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.926571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.993635 (E_RNA)
where:
Base-Base interactions energy: -350.616
where: short stacking energy: -147.197
Base-Backbone interact. energy: -0.480
local terms energy: -138.898425
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -466.802593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.802593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.183571 (E_RNA)
where:
Base-Base interactions energy: -330.071
where: short stacking energy: -129.474
Base-Backbone interact. energy: -0.897
local terms energy: -136.215643
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -33.693
Dist. restrs. and SS energy: 0.381 (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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -444.590060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.590060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.123642 (E_RNA)
where:
Base-Base interactions energy: -308.536
where: short stacking energy: -132.570
Base-Backbone interact. energy: 0.350
local terms energy: -136.937287
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -33.777
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: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -459.599275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.599275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.900982 (E_RNA)
where:
Base-Base interactions energy: -333.884
where: short stacking energy: -127.400
Base-Backbone interact. energy: -0.559
local terms energy: -125.458785
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -23.058
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -450.564321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.564321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.838782 (E_RNA)
where:
Base-Base interactions energy: -326.487
where: short stacking energy: -121.549
Base-Backbone interact. energy: -0.343
local terms energy: -124.009003
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -25.541
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -31.659
Dist. restrs. and SS energy: 0.274 (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: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -434.664382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.664382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.360125 (E_RNA)
where:
Base-Base interactions energy: -306.205
where: short stacking energy: -128.547
Base-Backbone interact. energy: -2.356
local terms energy: -126.799754
where:
bonds (distance) C4'-P energy: -27.041
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -34.139
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -542.317863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.317863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.392595 (E_RNA)
where:
Base-Base interactions energy: -377.463
where: short stacking energy: -161.434
Base-Backbone interact. energy: -0.461
local terms energy: -164.468551
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -43.977
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -531.880556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.880556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.077117 (E_RNA)
where:
Base-Base interactions energy: -370.972
where: short stacking energy: -151.492
Base-Backbone interact. energy: -0.315
local terms energy: -160.790717
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -32.122
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -40.211
Dist. restrs. and SS energy: 0.197 (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: 265
Temperature: 1.000000
Total energy: -515.007556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.007556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.406034 (E_RNA)
where:
Base-Base interactions energy: -366.196
where: short stacking energy: -155.686
Base-Backbone interact. energy: 0.413
local terms energy: -149.623356
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -21.988
tors. eta vs tors. theta energy: -38.372
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -490.298669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.298669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.595680 (E_RNA)
where:
Base-Base interactions energy: -345.617
where: short stacking energy: -142.790
Base-Backbone interact. energy: -0.289
local terms energy: -144.689459
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -29.034
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -39.641
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -479.154903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.154903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.606814 (E_RNA)
where:
Base-Base interactions energy: -351.572
where: short stacking energy: -138.608
Base-Backbone interact. energy: 1.085
local terms energy: -129.119317
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -33.603
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -473.625472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.625472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.671531 (E_RNA)
where:
Base-Base interactions energy: -340.179
where: short stacking energy: -131.508
Base-Backbone interact. energy: 0.535
local terms energy: -134.026655
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -33.875
Dist. restrs. and SS energy: 0.046 (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: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -447.922885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.922885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.032014 (E_RNA)
where:
Base-Base interactions energy: -326.451
where: short stacking energy: -128.058
Base-Backbone interact. energy: 2.273
local terms energy: -123.854422
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.109 (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: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -459.948648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.948648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.379669 (E_RNA)
where:
Base-Base interactions energy: -330.576
where: short stacking energy: -129.351
Base-Backbone interact. energy: -0.476
local terms energy: -129.327591
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -22.787
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -461.031185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.031185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.083119 (E_RNA)
where:
Base-Base interactions energy: -322.152
where: short stacking energy: -118.527
Base-Backbone interact. energy: -1.095
local terms energy: -137.836402
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -30.293
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -30.052
Dist. restrs. and SS energy: 0.052 (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: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -431.383402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.383402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.438181 (E_RNA)
where:
Base-Base interactions energy: -314.785
where: short stacking energy: -125.893
Base-Backbone interact. energy: 2.110
local terms energy: -118.763328
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 0.055 (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: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -540.574156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.574156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.632553 (E_RNA)
where:
Base-Base interactions energy: -373.572
where: short stacking energy: -150.129
Base-Backbone interact. energy: 0.421
local terms energy: -167.481358
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -41.632
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -528.818578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.818578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.973270 (E_RNA)
where:
Base-Base interactions energy: -366.756
where: short stacking energy: -154.151
Base-Backbone interact. energy: 0.338
local terms energy: -162.555662
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -25.500
tors. eta vs tors. theta energy: -41.787
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -519.588899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.588899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.834743 (E_RNA)
where:
Base-Base interactions energy: -365.437
where: short stacking energy: -157.145
Base-Backbone interact. energy: -0.364
local terms energy: -154.032984
where:
bonds (distance) C4'-P energy: -29.796
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -40.868
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -513.628282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.628282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.820299 (E_RNA)
where:
Base-Base interactions energy: -369.195
where: short stacking energy: -145.323
Base-Backbone interact. energy: 0.359
local terms energy: -144.983725
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -41.175
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -492.765803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.765803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.350500 (E_RNA)
where:
Base-Base interactions energy: -346.688
where: short stacking energy: -143.094
Base-Backbone interact. energy: -0.535
local terms energy: -146.126734
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -26.786
flat angles C4'-P-C4' energy: -35.423
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -39.927
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: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -466.641299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.641299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.882293 (E_RNA)
where:
Base-Base interactions energy: -330.270
where: short stacking energy: -126.540
Base-Backbone interact. energy: -1.004
local terms energy: -135.608495
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -33.740
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -29.470
Dist. restrs. and SS energy: 0.241 (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: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -473.235219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.235219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.744925 (E_RNA)
where:
Base-Base interactions energy: -340.233
where: short stacking energy: -130.684
Base-Backbone interact. energy: -0.344
local terms energy: -133.167996
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -31.906
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -32.900
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -446.042483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.042483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.267937 (E_RNA)
where:
Base-Base interactions energy: -323.825
where: short stacking energy: -126.269
Base-Backbone interact. energy: -0.412
local terms energy: -122.031770
where:
bonds (distance) C4'-P energy: -23.484
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -29.013
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -457.768401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.768401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.108726 (E_RNA)
where:
Base-Base interactions energy: -331.231
where: short stacking energy: -142.960
Base-Backbone interact. energy: -0.397
local terms energy: -126.480619
where:
bonds (distance) C4'-P energy: -23.524
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.340 (S_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: 266
Temperature: 1.350000
Total energy: -425.293517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.293517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.841193 (E_RNA)
where:
Base-Base interactions energy: -315.442
where: short stacking energy: -126.227
Base-Backbone interact. energy: 3.203
local terms energy: -113.601626
where:
bonds (distance) C4'-P energy: -23.890
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. 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: -536.136764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.136764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.320447 (E_RNA)
where:
Base-Base interactions energy: -377.477
where: short stacking energy: -157.084
Base-Backbone interact. energy: -0.638
local terms energy: -158.205151
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -33.826
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -39.970
Dist. restrs. and SS energy: 0.184 (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: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -522.229270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.229270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.524929 (E_RNA)
where:
Base-Base interactions energy: -369.645
where: short stacking energy: -151.755
Base-Backbone interact. energy: -1.218
local terms energy: -151.661833
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -512.696362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.696362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.731527 (E_RNA)
where:
Base-Base interactions energy: -365.411
where: short stacking energy: -149.685
Base-Backbone interact. energy: -0.814
local terms energy: -146.506885
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -32.874
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -41.217
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -501.272620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.272620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.501632 (E_RNA)
where:
Base-Base interactions energy: -350.023
where: short stacking energy: -143.857
Base-Backbone interact. energy: -0.592
local terms energy: -150.886659
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -28.969
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -36.448
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -472.263538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.263538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.314323 (E_RNA)
where:
Base-Base interactions energy: -330.900
where: short stacking energy: -136.611
Base-Backbone interact. energy: -0.690
local terms energy: -140.724552
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -34.822
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -491.891196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.891196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.502758 (E_RNA)
where:
Base-Base interactions energy: -350.737
where: short stacking energy: -138.366
Base-Backbone interact. energy: 0.156
local terms energy: -141.921482
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -32.965
Dist. restrs. and SS energy: 0.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -466.367969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.367969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.746463 (E_RNA)
where:
Base-Base interactions energy: -326.691
where: short stacking energy: -135.195
Base-Backbone interact. energy: -1.096
local terms energy: -138.959248
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -35.807
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -451.572256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.572256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.012033 (E_RNA)
where:
Base-Base interactions energy: -327.804
where: short stacking energy: -128.805
Base-Backbone interact. energy: -1.108
local terms energy: -123.099538
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 0.440 (S_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: 267
Temperature: 1.300000
Total energy: -422.851206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.851206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.859098 (E_RNA)
where:
Base-Base interactions energy: -301.238
where: short stacking energy: -112.792
Base-Backbone interact. energy: -0.143
local terms energy: -121.478464
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -27.992
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -405.441937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.441937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.668913 (E_RNA)
where:
Base-Base interactions energy: -297.540
where: short stacking energy: -113.940
Base-Backbone interact. energy: -0.860
local terms energy: -107.268717
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -539.232341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.232341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.326266 (E_RNA)
where:
Base-Base interactions energy: -383.296
where: short stacking energy: -163.042
Base-Backbone interact. energy: -0.343
local terms energy: -155.687337
where:
bonds (distance) C4'-P energy: -24.580
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -22.616
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -514.468030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.468030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.728509 (E_RNA)
where:
Base-Base interactions energy: -369.140
where: short stacking energy: -155.846
Base-Backbone interact. energy: -0.200
local terms energy: -145.388130
where:
bonds (distance) C4'-P energy: -29.629
bonds (distance) P-C4' energy: -25.388
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -36.942
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -513.739739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.739739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.136872 (E_RNA)
where:
Base-Base interactions energy: -368.182
where: short stacking energy: -144.109
Base-Backbone interact. energy: 0.486
local terms energy: -146.440689
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -29.838
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -38.100
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: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -497.541252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.541252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.729050 (E_RNA)
where:
Base-Base interactions energy: -356.328
where: short stacking energy: -141.390
Base-Backbone interact. energy: -1.186
local terms energy: -140.215052
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -32.394
Dist. restrs. and SS energy: 0.188 (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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -455.808207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.808207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.092266 (E_RNA)
where:
Base-Base interactions energy: -323.240
where: short stacking energy: -121.358
Base-Backbone interact. energy: -0.458
local terms energy: -132.393832
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -468.872440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.872440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.315146 (E_RNA)
where:
Base-Base interactions energy: -341.992
where: short stacking energy: -126.457
Base-Backbone interact. energy: -0.450
local terms energy: -126.873487
where:
bonds (distance) C4'-P energy: -24.679
bonds (distance) P-C4' energy: -30.485
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -466.841120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.841120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.243960 (E_RNA)
where:
Base-Base interactions energy: -345.594
where: short stacking energy: -134.367
Base-Backbone interact. energy: -0.550
local terms energy: -121.100025
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -34.610
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -436.086969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.086969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.304113 (E_RNA)
where:
Base-Base interactions energy: -307.364
where: short stacking energy: -116.186
Base-Backbone interact. energy: -0.115
local terms energy: -128.824603
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.217 (S_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: 268
Temperature: 1.300000
Total energy: -419.822061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.822061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.953865 (E_RNA)
where:
Base-Base interactions energy: -303.809
where: short stacking energy: -118.348
Base-Backbone interact. energy: 0.689
local terms energy: -116.833792
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -426.570803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.570803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.216292 (E_RNA)
where:
Base-Base interactions energy: -311.719
where: short stacking energy: -126.787
Base-Backbone interact. energy: 0.057
local terms energy: -115.554934
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -28.218
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -33.187
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: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -537.216767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.216767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.551236 (E_RNA)
where:
Base-Base interactions energy: -379.782
where: short stacking energy: -154.945
Base-Backbone interact. energy: -0.692
local terms energy: -157.077737
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -41.817
Dist. restrs. and SS energy: 0.334 (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: 269
Temperature: 0.950000
Total energy: -520.379902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.379902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.530484 (E_RNA)
where:
Base-Base interactions energy: -362.484
where: short stacking energy: -140.794
Base-Backbone interact. energy: 0.051
local terms energy: -158.097027
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -37.336
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -37.680
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -514.103436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.103436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.351420 (E_RNA)
where:
Base-Base interactions energy: -356.860
where: short stacking energy: -154.120
Base-Backbone interact. energy: -0.166
local terms energy: -157.324706
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -35.863
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -43.718
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: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -498.183767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.183767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.272375 (E_RNA)
where:
Base-Base interactions energy: -346.629
where: short stacking energy: -146.141
Base-Backbone interact. energy: -0.518
local terms energy: -151.124419
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -37.742
Dist. restrs. and SS energy: 0.089 (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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -500.523903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.523903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.589384 (E_RNA)
where:
Base-Base interactions energy: -365.552
where: short stacking energy: -149.129
Base-Backbone interact. energy: -0.421
local terms energy: -134.616062
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -34.884
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -32.479
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -469.305123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.305123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.898121 (E_RNA)
where:
Base-Base interactions energy: -325.849
where: short stacking energy: -132.238
Base-Backbone interact. energy: -0.932
local terms energy: -143.117128
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -36.269
Dist. restrs. and SS energy: 0.593 (S_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: 269
Temperature: 1.200000
Total energy: -475.677031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.677031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.823956 (E_RNA)
where:
Base-Base interactions energy: -336.301
where: short stacking energy: -135.629
Base-Backbone interact. energy: 0.838
local terms energy: -140.360926
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.147 (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: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -443.374652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.374652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.673329 (E_RNA)
where:
Base-Base interactions energy: -320.056
where: short stacking energy: -124.303
Base-Backbone interact. energy: 6.316
local terms energy: -129.933531
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -29.565
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -30.400
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: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -425.942841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.942841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.771629 (E_RNA)
where:
Base-Base interactions energy: -307.921
where: short stacking energy: -114.032
Base-Backbone interact. energy: 0.569
local terms energy: -119.419943
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -25.729
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: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -415.365228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.365228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.565459 (E_RNA)
where:
Base-Base interactions energy: -304.975
where: short stacking energy: -111.859
Base-Backbone interact. energy: -0.574
local terms energy: -110.017085
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -538.267059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.267059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.362860 (E_RNA)
where:
Base-Base interactions energy: -377.295
where: short stacking energy: -148.143
Base-Backbone interact. energy: -0.404
local terms energy: -160.664199
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -23.259
tors. eta vs tors. theta energy: -41.161
Dist. restrs. and SS energy: 0.096 (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: 270
Temperature: 0.950000
Total energy: -505.981276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.981276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.108127 (E_RNA)
where:
Base-Base interactions energy: -362.910
where: short stacking energy: -149.090
Base-Backbone interact. energy: -0.506
local terms energy: -142.692843
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.127 (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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -512.058068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.058068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.430976 (E_RNA)
where:
Base-Base interactions energy: -361.211
where: short stacking energy: -146.157
Base-Backbone interact. energy: 3.308
local terms energy: -154.528033
where:
bonds (distance) C4'-P energy: -32.983
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.373 (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: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -496.167301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.167301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.429379 (E_RNA)
where:
Base-Base interactions energy: -332.350
where: short stacking energy: -131.040
Base-Backbone interact. energy: -1.122
local terms energy: -162.958065
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -35.024
Dist. restrs. and SS energy: 0.262 (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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -515.767689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.767689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.808330 (E_RNA)
where:
Base-Base interactions energy: -361.702
where: short stacking energy: -152.483
Base-Backbone interact. energy: -1.054
local terms energy: -153.052073
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -30.869
flat angles C4'-P-C4' energy: -32.895
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -42.822
Dist. restrs. and SS energy: 0.041 (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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -486.901898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.901898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.315500 (E_RNA)
where:
Base-Base interactions energy: -342.229
where: short stacking energy: -138.008
Base-Backbone interact. energy: -0.485
local terms energy: -144.601142
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -40.995
Dist. restrs. and SS energy: 0.414 (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: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -463.804316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.804316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.947897 (E_RNA)
where:
Base-Base interactions energy: -336.857
where: short stacking energy: -129.007
Base-Backbone interact. energy: -1.761
local terms energy: -125.329453
where:
bonds (distance) C4'-P energy: -23.683
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -31.172
Dist. restrs. and SS energy: 0.144 (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: 270
Temperature: 1.250000
Total energy: -450.708510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.708510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.849082 (E_RNA)
where:
Base-Base interactions energy: -337.838
where: short stacking energy: -133.211
Base-Backbone interact. energy: 1.600
local terms energy: -114.610448
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -31.499
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -425.286705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.286705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.313086 (E_RNA)
where:
Base-Base interactions energy: -296.852
where: short stacking energy: -114.511
Base-Backbone interact. energy: -0.631
local terms energy: -128.830169
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -27.940
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 1.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -402.384763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.384763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.810921 (E_RNA)
where:
Base-Base interactions energy: -289.462
where: short stacking energy: -113.540
Base-Backbone interact. energy: -0.305
local terms energy: -113.044555
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -529.280214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.280214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.426648 (E_RNA)
where:
Base-Base interactions energy: -371.292
where: short stacking energy: -145.697
Base-Backbone interact. energy: -0.961
local terms energy: -157.174122
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.146 (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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -515.436354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.436354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.654241 (E_RNA)
where:
Base-Base interactions energy: -359.953
where: short stacking energy: -148.128
Base-Backbone interact. energy: -0.399
local terms energy: -155.301671
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -36.470
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -41.502
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -505.584650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.584650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.808007 (E_RNA)
where:
Base-Base interactions energy: -366.477
where: short stacking energy: -141.620
Base-Backbone interact. energy: 1.426
local terms energy: -140.756728
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -25.328
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.223 (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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -513.291195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.291195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.600461 (E_RNA)
where:
Base-Base interactions energy: -356.874
where: short stacking energy: -151.479
Base-Backbone interact. energy: -0.459
local terms energy: -156.267871
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -33.462
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: -40.242
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -485.572024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.572024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.063450 (E_RNA)
where:
Base-Base interactions energy: -350.307
where: short stacking energy: -142.652
Base-Backbone interact. energy: -0.068
local terms energy: -135.688385
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -467.432562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.432562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.677204 (E_RNA)
where:
Base-Base interactions energy: -338.683
where: short stacking energy: -144.018
Base-Backbone interact. energy: -0.888
local terms energy: -128.105787
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -36.264
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -467.015994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.015994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.453422 (E_RNA)
where:
Base-Base interactions energy: -335.841
where: short stacking energy: -131.882
Base-Backbone interact. energy: -1.436
local terms energy: -130.176378
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -33.731
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -474.044362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.044362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.405207 (E_RNA)
where:
Base-Base interactions energy: -339.507
where: short stacking energy: -135.760
Base-Backbone interact. energy: 1.757
local terms energy: -136.655139
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -30.742
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -35.771
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -439.954579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.954579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.321118 (E_RNA)
where:
Base-Base interactions energy: -299.173
where: short stacking energy: -131.091
Base-Backbone interact. energy: -0.588
local terms energy: -140.559263
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -35.414
Dist. restrs. and SS energy: 0.367 (S_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: 271
Temperature: 1.350000
Total energy: -410.643497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.643497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.353343 (E_RNA)
where:
Base-Base interactions energy: -299.221
where: short stacking energy: -123.809
Base-Backbone interact. energy: -0.981
local terms energy: -111.150688
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -28.636
Dist. restrs. and SS energy: 0.710 (S_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: 272
Temperature: 0.900000
Total energy: -531.364846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.364846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.624586 (E_RNA)
where:
Base-Base interactions energy: -378.086
where: short stacking energy: -154.391
Base-Backbone interact. energy: -2.012
local terms energy: -151.526107
where:
bonds (distance) C4'-P energy: -29.255
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -516.016708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.016708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.300175 (E_RNA)
where:
Base-Base interactions energy: -372.217
where: short stacking energy: -152.972
Base-Backbone interact. energy: 0.241
local terms energy: -144.323440
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -39.832
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -503.134843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.134843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.179550 (E_RNA)
where:
Base-Base interactions energy: -363.597
where: short stacking energy: -145.518
Base-Backbone interact. energy: 2.486
local terms energy: -142.069007
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -42.519
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -494.352284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.352284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.529140 (E_RNA)
where:
Base-Base interactions energy: -355.106
where: short stacking energy: -135.234
Base-Backbone interact. energy: -0.318
local terms energy: -139.104420
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: -36.835
Dist. restrs. and SS energy: 0.177 (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: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -498.234900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.234900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.408502 (E_RNA)
where:
Base-Base interactions energy: -350.607
where: short stacking energy: -147.225
Base-Backbone interact. energy: -0.609
local terms energy: -147.192673
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -36.180
Dist. restrs. and SS energy: 0.174 (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: 272
Temperature: 1.150000
Total energy: -465.596207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.596207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.889158 (E_RNA)
where:
Base-Base interactions energy: -321.970
where: short stacking energy: -130.362
Base-Backbone interact. energy: -0.652
local terms energy: -143.266463
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -26.611
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -33.364
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -438.433756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.433756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.938018 (E_RNA)
where:
Base-Base interactions energy: -305.977
where: short stacking energy: -119.262
Base-Backbone interact. energy: -0.859
local terms energy: -132.101976
where:
bonds (distance) C4'-P energy: -24.527
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -30.581
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -456.244001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.244001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.877931 (E_RNA)
where:
Base-Base interactions energy: -322.619
where: short stacking energy: -129.712
Base-Backbone interact. energy: -0.546
local terms energy: -133.712889
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -30.363
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -433.871038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.871038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.001739 (E_RNA)
where:
Base-Base interactions energy: -304.557
where: short stacking energy: -111.055
Base-Backbone interact. energy: -0.775
local terms energy: -128.669399
where:
bonds (distance) C4'-P energy: -25.286
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: -32.392
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -423.451299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.451299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.915388 (E_RNA)
where:
Base-Base interactions energy: -299.938
where: short stacking energy: -123.640
Base-Backbone interact. energy: -0.519
local terms energy: -123.458081
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.464 (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: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -542.648909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.648909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.747583 (E_RNA)
where:
Base-Base interactions energy: -385.311
where: short stacking energy: -158.819
Base-Backbone interact. energy: -0.341
local terms energy: -157.096118
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.099 (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: 273
Temperature: 0.950000
Total energy: -523.311970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.311970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.479279 (E_RNA)
where:
Base-Base interactions energy: -369.143
where: short stacking energy: -158.688
Base-Backbone interact. energy: -0.420
local terms energy: -153.916848
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.167 (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: 273
Temperature: 1.000000
Total energy: -517.849207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.849207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.030022 (E_RNA)
where:
Base-Base interactions energy: -360.949
where: short stacking energy: -140.453
Base-Backbone interact. energy: -0.132
local terms energy: -156.949925
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -35.430
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -39.599
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -514.925294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.925294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.045967 (E_RNA)
where:
Base-Base interactions energy: -364.806
where: short stacking energy: -151.114
Base-Backbone interact. energy: 0.416
local terms energy: -150.655219
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -42.140
Dist. restrs. and SS energy: 0.121 (S_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: 273
Temperature: 1.100000
Total energy: -473.337482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.337482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.485739 (E_RNA)
where:
Base-Base interactions energy: -334.202
where: short stacking energy: -127.697
Base-Backbone interact. energy: -0.663
local terms energy: -138.621101
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -35.865
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -491.357592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.357592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.528656 (E_RNA)
where:
Base-Base interactions energy: -348.197
where: short stacking energy: -135.204
Base-Backbone interact. energy: -2.482
local terms energy: -140.848870
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -37.316
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -460.037747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.037747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.305918 (E_RNA)
where:
Base-Base interactions energy: -310.817
where: short stacking energy: -130.680
Base-Backbone interact. energy: 0.247
local terms energy: -149.736273
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -38.311
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -453.489694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.489694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.043804 (E_RNA)
where:
Base-Base interactions energy: -314.108
where: short stacking energy: -125.979
Base-Backbone interact. energy: -0.499
local terms energy: -139.436513
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -27.298
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -32.876
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -418.999502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.999502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.480081 (E_RNA)
where:
Base-Base interactions energy: -306.442
where: short stacking energy: -120.136
Base-Backbone interact. energy: -0.899
local terms energy: -112.138704
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -29.364
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: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -424.096409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.096409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.410105 (E_RNA)
where:
Base-Base interactions energy: -302.124
where: short stacking energy: -124.933
Base-Backbone interact. energy: 1.026
local terms energy: -123.311802
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -23.876
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -543.168101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.168101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.255307 (E_RNA)
where:
Base-Base interactions energy: -379.237
where: short stacking energy: -160.980
Base-Backbone interact. energy: -0.041
local terms energy: -163.977135
where:
bonds (distance) C4'-P energy: -32.624
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -34.763
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -41.571
Dist. restrs. and SS energy: 0.087 (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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -517.932499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.932499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.384570 (E_RNA)
where:
Base-Base interactions energy: -363.705
where: short stacking energy: -151.026
Base-Backbone interact. energy: -1.308
local terms energy: -153.371899
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -42.063
Dist. restrs. and SS energy: 0.452 (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: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -519.409870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.409870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.256258 (E_RNA)
where:
Base-Base interactions energy: -370.281
where: short stacking energy: -152.154
Base-Backbone interact. energy: -0.846
local terms energy: -149.128959
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -32.555
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -498.560273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.560273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.725365 (E_RNA)
where:
Base-Base interactions energy: -354.692
where: short stacking energy: -147.775
Base-Backbone interact. energy: -0.255
local terms energy: -143.778150
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -38.931
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -496.550175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.550175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.740203 (E_RNA)
where:
Base-Base interactions energy: -355.251
where: short stacking energy: -134.345
Base-Backbone interact. energy: 1.719
local terms energy: -143.208825
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.190 (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: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -469.098647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.098647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.294669 (E_RNA)
where:
Base-Base interactions energy: -342.862
where: short stacking energy: -140.356
Base-Backbone interact. energy: 0.723
local terms energy: -127.155461
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: -33.605
Dist. restrs. and SS energy: 0.196 (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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -443.642946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.642946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.992320 (E_RNA)
where:
Base-Base interactions energy: -311.229
where: short stacking energy: -124.165
Base-Backbone interact. energy: -0.205
local terms energy: -132.557915
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -31.921
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -432.554379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.554379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.918564 (E_RNA)
where:
Base-Base interactions energy: -316.176
where: short stacking energy: -130.473
Base-Backbone interact. energy: -0.264
local terms energy: -118.478065
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -427.253851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.253851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.776922 (E_RNA)
where:
Base-Base interactions energy: -306.253
where: short stacking energy: -126.871
Base-Backbone interact. energy: 0.203
local terms energy: -121.727257
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.523 (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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -404.286690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.286690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.454682 (E_RNA)
where:
Base-Base interactions energy: -300.930
where: short stacking energy: -113.826
Base-Backbone interact. energy: -0.624
local terms energy: -102.900003
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -534.300842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.300842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.461170 (E_RNA)
where:
Base-Base interactions energy: -372.804
where: short stacking energy: -150.493
Base-Backbone interact. energy: -1.051
local terms energy: -160.607066
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -41.333
Dist. restrs. and SS energy: 0.160 (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: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -532.547253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.547253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.589652 (E_RNA)
where:
Base-Base interactions energy: -389.736
where: short stacking energy: -155.172
Base-Backbone interact. energy: 0.266
local terms energy: -143.120462
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -24.140
flat angles C4'-P-C4' energy: -31.680
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -39.790
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -509.222775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.222775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.310896 (E_RNA)
where:
Base-Base interactions energy: -363.504
where: short stacking energy: -157.183
Base-Backbone interact. energy: -1.086
local terms energy: -144.721368
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -44.705
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -505.000544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.000544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.387405 (E_RNA)
where:
Base-Base interactions energy: -356.414
where: short stacking energy: -141.675
Base-Backbone interact. energy: 0.377
local terms energy: -149.350309
where:
bonds (distance) C4'-P energy: -30.382
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -35.673
Dist. restrs. and SS energy: 0.387 (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: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -487.438221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.438221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.574804 (E_RNA)
where:
Base-Base interactions energy: -355.762
where: short stacking energy: -147.048
Base-Backbone interact. energy: -0.812
local terms energy: -131.000450
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -31.300
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -477.533195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.533195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.807259 (E_RNA)
where:
Base-Base interactions energy: -338.933
where: short stacking energy: -132.044
Base-Backbone interact. energy: -0.580
local terms energy: -138.294598
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -29.532
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -444.136783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.136783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.342519 (E_RNA)
where:
Base-Base interactions energy: -320.016
where: short stacking energy: -121.148
Base-Backbone interact. energy: 0.768
local terms energy: -125.094372
where:
bonds (distance) C4'-P energy: -26.129
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -28.620
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -429.931570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.931570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.575080 (E_RNA)
where:
Base-Base interactions energy: -311.331
where: short stacking energy: -120.427
Base-Backbone interact. energy: -0.725
local terms energy: -125.519112
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -28.433
flat angles P-C4'-P energy: -23.243
tors. eta vs tors. theta energy: -26.398
Dist. restrs. and SS energy: 7.644 (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: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -405.334816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.334816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.047307 (E_RNA)
where:
Base-Base interactions energy: -285.932
where: short stacking energy: -107.935
Base-Backbone interact. energy: -0.109
local terms energy: -120.005897
where:
bonds (distance) C4'-P energy: -30.193
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -26.488
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.712 (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: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -409.986141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.986141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.567674 (E_RNA)
where:
Base-Base interactions energy: -307.083
where: short stacking energy: -115.247
Base-Backbone interact. energy: 3.283
local terms energy: -107.767462
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -21.925
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -24.222
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -541.097540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.097540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.195309 (E_RNA)
where:
Base-Base interactions energy: -383.176
where: short stacking energy: -156.637
Base-Backbone interact. energy: -0.781
local terms energy: -157.238710
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -29.840
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -38.504
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -519.643142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.643142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.668075 (E_RNA)
where:
Base-Base interactions energy: -370.126
where: short stacking energy: -152.811
Base-Backbone interact. energy: -0.451
local terms energy: -149.091142
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -29.500
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -39.911
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -506.978040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.978040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.207744 (E_RNA)
where:
Base-Base interactions energy: -356.861
where: short stacking energy: -144.780
Base-Backbone interact. energy: -0.398
local terms energy: -149.948650
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -38.743
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -494.381150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.381150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.686055 (E_RNA)
where:
Base-Base interactions energy: -350.548
where: short stacking energy: -134.548
Base-Backbone interact. energy: -0.830
local terms energy: -143.307761
where:
bonds (distance) C4'-P energy: -29.005
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -30.012
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -35.427
Dist. restrs. and SS energy: 0.305 (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: 276
Temperature: 1.100000
Total energy: -481.720771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.720771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.215342 (E_RNA)
where:
Base-Base interactions energy: -347.707
where: short stacking energy: -140.383
Base-Backbone interact. energy: -1.013
local terms energy: -133.495406
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -34.249
Dist. restrs. and SS energy: 0.495 (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: 276
Temperature: 1.150000
Total energy: -489.054638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.054638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.186459 (E_RNA)
where:
Base-Base interactions energy: -347.797
where: short stacking energy: -136.600
Base-Backbone interact. energy: 0.131
local terms energy: -141.519994
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -431.976146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.976146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.236483 (E_RNA)
where:
Base-Base interactions energy: -304.384
where: short stacking energy: -117.062
Base-Backbone interact. energy: -0.627
local terms energy: -127.225550
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.260 (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: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -447.491969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.491969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.976295 (E_RNA)
where:
Base-Base interactions energy: -336.365
where: short stacking energy: -121.779
Base-Backbone interact. energy: -0.841
local terms energy: -110.770395
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 0.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -425.159788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.159788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.895565 (E_RNA)
where:
Base-Base interactions energy: -305.655
where: short stacking energy: -117.040
Base-Backbone interact. energy: 1.405
local terms energy: -121.644835
where:
bonds (distance) C4'-P energy: -28.237
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -29.576
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -33.735
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -433.556946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.556946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.877214 (E_RNA)
where:
Base-Base interactions energy: -304.045
where: short stacking energy: -118.423
Base-Backbone interact. energy: -0.898
local terms energy: -128.934215
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -29.475
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -539.427401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.427401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.559238 (E_RNA)
where:
Base-Base interactions energy: -386.435
where: short stacking energy: -149.788
Base-Backbone interact. energy: -0.522
local terms energy: -152.602788
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -39.401
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -519.316671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.316671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.908968 (E_RNA)
where:
Base-Base interactions energy: -371.709
where: short stacking energy: -146.360
Base-Backbone interact. energy: 0.973
local terms energy: -149.172913
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -38.046
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: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -523.386798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.386798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.680966 (E_RNA)
where:
Base-Base interactions energy: -370.110
where: short stacking energy: -150.459
Base-Backbone interact. energy: 0.091
local terms energy: -153.662191
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -45.329
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -488.405286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.405286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.481227 (E_RNA)
where:
Base-Base interactions energy: -353.947
where: short stacking energy: -145.668
Base-Backbone interact. energy: 3.086
local terms energy: -137.620272
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -27.052
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -35.830
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -491.934654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.934654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.300900 (E_RNA)
where:
Base-Base interactions energy: -343.719
where: short stacking energy: -144.342
Base-Backbone interact. energy: -0.695
local terms energy: -147.887090
where:
bonds (distance) C4'-P energy: -26.522
bonds (distance) P-C4' energy: -24.835
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -42.909
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -488.299367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.299367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.721722 (E_RNA)
where:
Base-Base interactions energy: -344.736
where: short stacking energy: -139.282
Base-Backbone interact. energy: -0.215
local terms energy: -143.770300
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -38.055
Dist. restrs. and SS energy: 0.422 (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: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -455.176968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.176968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.358359 (E_RNA)
where:
Base-Base interactions energy: -320.007
where: short stacking energy: -123.444
Base-Backbone interact. energy: 0.376
local terms energy: -135.727706
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -25.878
tors. eta vs tors. theta energy: -31.902
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -447.796159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.796159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.997178 (E_RNA)
where:
Base-Base interactions energy: -324.179
where: short stacking energy: -128.868
Base-Backbone interact. energy: -0.344
local terms energy: -123.474949
where:
bonds (distance) C4'-P energy: -24.076
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -33.138
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -445.697059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.697059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.628183 (E_RNA)
where:
Base-Base interactions energy: -321.955
where: short stacking energy: -129.485
Base-Backbone interact. energy: 1.354
local terms energy: -126.027538
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -26.432
flat angles C4'-P-C4' energy: -25.068
flat angles P-C4'-P energy: -17.106
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.931 (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: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -410.142394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.142394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.634451 (E_RNA)
where:
Base-Base interactions energy: -302.068
where: short stacking energy: -120.256
Base-Backbone interact. energy: -0.516
local terms energy: -108.050627
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -28.168
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -536.130768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.130768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.293385 (E_RNA)
where:
Base-Base interactions energy: -374.131
where: short stacking energy: -146.557
Base-Backbone interact. energy: -1.888
local terms energy: -160.274329
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -40.907
Dist. restrs. and SS energy: 0.163 (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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -521.166148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.166148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.182375 (E_RNA)
where:
Base-Base interactions energy: -372.551
where: short stacking energy: -144.350
Base-Backbone interact. energy: 1.194
local terms energy: -149.825974
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -38.378
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -514.608820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.608820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.651114 (E_RNA)
where:
Base-Base interactions energy: -361.704
where: short stacking energy: -153.520
Base-Backbone interact. energy: -0.296
local terms energy: -152.651054
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -41.125
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -502.412085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.412085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.576796 (E_RNA)
where:
Base-Base interactions energy: -349.329
where: short stacking energy: -143.407
Base-Backbone interact. energy: -0.619
local terms energy: -152.628767
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -43.396
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -479.489166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.489166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.737137 (E_RNA)
where:
Base-Base interactions energy: -349.482
where: short stacking energy: -136.786
Base-Backbone interact. energy: -0.512
local terms energy: -129.743663
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -34.048
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: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -479.456859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.456859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.696350 (E_RNA)
where:
Base-Base interactions energy: -334.484
where: short stacking energy: -135.752
Base-Backbone interact. energy: -0.282
local terms energy: -144.929876
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -31.870
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -34.148
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -453.979332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.979332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.186306 (E_RNA)
where:
Base-Base interactions energy: -323.091
where: short stacking energy: -122.855
Base-Backbone interact. energy: -1.084
local terms energy: -130.011624
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -31.267
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -432.825309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.825309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.940578 (E_RNA)
where:
Base-Base interactions energy: -310.821
where: short stacking energy: -115.952
Base-Backbone interact. energy: -0.777
local terms energy: -121.342670
where:
bonds (distance) C4'-P energy: -28.940
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -440.062061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.062061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.514988 (E_RNA)
where:
Base-Base interactions energy: -320.093
where: short stacking energy: -113.773
Base-Backbone interact. energy: -0.431
local terms energy: -119.991074
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -35.423
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -25.081
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: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -412.100315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.100315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.681791 (E_RNA)
where:
Base-Base interactions energy: -300.716
where: short stacking energy: -114.973
Base-Backbone interact. energy: 1.578
local terms energy: -113.544243
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -28.113
Dist. restrs. and SS energy: 0.581 (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: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -533.339277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.339277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.339277 (E_RNA)
where:
Base-Base interactions energy: -372.354
where: short stacking energy: -153.674
Base-Backbone interact. energy: -0.180
local terms energy: -160.804650
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -35.467
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -40.735
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -520.713467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.713467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.826482 (E_RNA)
where:
Base-Base interactions energy: -370.659
where: short stacking energy: -150.342
Base-Backbone interact. energy: -1.226
local terms energy: -148.941418
where:
bonds (distance) C4'-P energy: -29.411
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -33.932
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -37.990
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -505.701519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.701519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.861133 (E_RNA)
where:
Base-Base interactions energy: -356.597
where: short stacking energy: -144.455
Base-Backbone interact. energy: -0.340
local terms energy: -148.924120
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -32.381
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -37.544
Dist. restrs. and SS energy: 0.160 (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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -497.869236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.869236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.954077 (E_RNA)
where:
Base-Base interactions energy: -364.169
where: short stacking energy: -146.674
Base-Backbone interact. energy: -0.843
local terms energy: -132.942266
where:
bonds (distance) C4'-P energy: -26.978
bonds (distance) P-C4' energy: -26.645
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -482.100244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.100244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.496947 (E_RNA)
where:
Base-Base interactions energy: -342.948
where: short stacking energy: -141.304
Base-Backbone interact. energy: -0.406
local terms energy: -139.142588
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -32.783
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: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -477.974852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.974852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.245425 (E_RNA)
where:
Base-Base interactions energy: -340.292
where: short stacking energy: -138.042
Base-Backbone interact. energy: -0.435
local terms energy: -137.518039
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -444.453224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.453224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.469447 (E_RNA)
where:
Base-Base interactions energy: -305.839
where: short stacking energy: -126.150
Base-Backbone interact. energy: -0.295
local terms energy: -138.336113
where:
bonds (distance) C4'-P energy: -26.156
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -33.329
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -33.264
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -453.034347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.034347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.426334 (E_RNA)
where:
Base-Base interactions energy: -325.127
where: short stacking energy: -128.107
Base-Backbone interact. energy: 2.375
local terms energy: -130.674949
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -32.726
Dist. restrs. and SS energy: 0.392 (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: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -422.762608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.762608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.821274 (E_RNA)
where:
Base-Base interactions energy: -300.070
where: short stacking energy: -111.625
Base-Backbone interact. energy: 3.420
local terms energy: -126.171077
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -402.240944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.240944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.935241 (E_RNA)
where:
Base-Base interactions energy: -285.220
where: short stacking energy: -111.770
Base-Backbone interact. energy: -0.458
local terms energy: -117.256782
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -25.591
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: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -537.502895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.502895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.588102 (E_RNA)
where:
Base-Base interactions energy: -377.939
where: short stacking energy: -154.519
Base-Backbone interact. energy: -0.480
local terms energy: -159.169003
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -32.078
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -43.066
Dist. restrs. and SS energy: 0.085 (S_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: -518.812913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.812913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.957606 (E_RNA)
where:
Base-Base interactions energy: -377.428
where: short stacking energy: -152.290
Base-Backbone interact. energy: -0.468
local terms energy: -141.062085
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -38.679
Dist. restrs. and SS energy: 0.145 (S_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: 280
Temperature: 1.000000
Total energy: -520.070454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.070454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.651639 (E_RNA)
where:
Base-Base interactions energy: -363.639
where: short stacking energy: -135.784
Base-Backbone interact. energy: -0.638
local terms energy: -156.374947
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -33.953
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.581 (S_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: 280
Temperature: 1.050000
Total energy: -508.242147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.242147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.495444 (E_RNA)
where:
Base-Base interactions energy: -367.906
where: short stacking energy: -150.040
Base-Backbone interact. energy: -0.498
local terms energy: -140.091027
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -39.730
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -485.907260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.907260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.992419 (E_RNA)
where:
Base-Base interactions energy: -347.747
where: short stacking energy: -138.952
Base-Backbone interact. energy: 0.513
local terms energy: -138.758505
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -33.337
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. 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: -487.195953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.195953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.219658 (E_RNA)
where:
Base-Base interactions energy: -349.930
where: short stacking energy: -144.925
Base-Backbone interact. energy: 0.288
local terms energy: -137.577587
where:
bonds (distance) C4'-P energy: -27.610
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -40.704
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -474.666705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.666705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.097114 (E_RNA)
where:
Base-Base interactions energy: -344.463
where: short stacking energy: -133.156
Base-Backbone interact. energy: -1.815
local terms energy: -128.818745
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -26.995
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -34.789
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -438.477093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.477093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.106838 (E_RNA)
where:
Base-Base interactions energy: -314.236
where: short stacking energy: -118.714
Base-Backbone interact. energy: 0.469
local terms energy: -125.339964
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -33.046
Dist. restrs. and SS energy: 0.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -432.108467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.108467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.837711 (E_RNA)
where:
Base-Base interactions energy: -306.083
where: short stacking energy: -114.904
Base-Backbone interact. energy: -0.347
local terms energy: -126.407762
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -30.299
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -408.929827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.929827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.206661 (E_RNA)
where:
Base-Base interactions energy: -292.769
where: short stacking energy: -114.700
Base-Backbone interact. energy: -0.153
local terms energy: -116.285313
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.277 (S_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: 281
Temperature: 0.900000
Total energy: -538.216695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.216695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.617964 (E_RNA)
where:
Base-Base interactions energy: -370.758
where: short stacking energy: -153.943
Base-Backbone interact. energy: -3.388
local terms energy: -164.472095
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -30.784
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -43.207
Dist. restrs. and SS energy: 0.401 (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: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -528.370322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.370322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.713676 (E_RNA)
where:
Base-Base interactions energy: -380.641
where: short stacking energy: -142.679
Base-Backbone interact. energy: -0.978
local terms energy: -147.095547
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -19.399
tors. eta vs tors. theta energy: -37.268
Dist. restrs. and SS energy: 0.343 (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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -512.179941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.179941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.211546 (E_RNA)
where:
Base-Base interactions energy: -363.681
where: short stacking energy: -140.564
Base-Backbone interact. energy: -0.566
local terms energy: -147.964577
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -37.644
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -496.097197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.097197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.264825 (E_RNA)
where:
Base-Base interactions energy: -359.031
where: short stacking energy: -144.170
Base-Backbone interact. energy: -0.525
local terms energy: -136.709185
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -28.140
flat angles C4'-P-C4' energy: -25.791
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -34.365
Dist. restrs. and SS energy: 0.168 (S_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: 281
Temperature: 1.100000
Total energy: -500.064526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.064526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.223016 (E_RNA)
where:
Base-Base interactions energy: -351.587
where: short stacking energy: -141.462
Base-Backbone interact. energy: -0.098
local terms energy: -148.537299
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -40.498
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -485.517040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.517040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.888747 (E_RNA)
where:
Base-Base interactions energy: -343.866
where: short stacking energy: -134.883
Base-Backbone interact. energy: -0.421
local terms energy: -141.602007
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -35.634
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.372 (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: 281
Temperature: 1.200000
Total energy: -472.498976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.498976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.790752 (E_RNA)
where:
Base-Base interactions energy: -342.463
where: short stacking energy: -140.968
Base-Backbone interact. energy: -0.326
local terms energy: -130.001811
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -426.016966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.016966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.703247 (E_RNA)
where:
Base-Base interactions energy: -292.970
where: short stacking energy: -116.715
Base-Backbone interact. energy: -0.476
local terms energy: -133.256722
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -26.563
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -30.259
Dist. restrs. and SS energy: 0.686 (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: 281
Temperature: 1.300000
Total energy: -434.092768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.092768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.339908 (E_RNA)
where:
Base-Base interactions energy: -306.646
where: short stacking energy: -114.233
Base-Backbone interact. energy: -1.014
local terms energy: -126.680108
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -29.290
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -35.342
Dist. restrs. and SS energy: 0.247 (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: 281
Temperature: 1.350000
Total energy: -405.142061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.142061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.769307 (E_RNA)
where:
Base-Base interactions energy: -299.909
where: short stacking energy: -120.963
Base-Backbone interact. energy: 0.060
local terms energy: -105.920804
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -27.676
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -535.761151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.761151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.886084 (E_RNA)
where:
Base-Base interactions energy: -395.492
where: short stacking energy: -142.582
Base-Backbone interact. energy: -1.109
local terms energy: -139.284601
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -29.097
flat angles P-C4'-P energy: -24.179
tors. eta vs tors. theta energy: -34.195
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -517.169975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.169975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.349180 (E_RNA)
where:
Base-Base interactions energy: -367.763
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.037
local terms energy: -149.549010
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -32.771
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -36.260
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -516.175345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.175345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.689439 (E_RNA)
where:
Base-Base interactions energy: -351.765
where: short stacking energy: -149.553
Base-Backbone interact. energy: -1.146
local terms energy: -163.777956
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.514 (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: 282
Temperature: 1.050000
Total energy: -505.403638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.403638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.583073 (E_RNA)
where:
Base-Base interactions energy: -349.665
where: short stacking energy: -142.191
Base-Backbone interact. energy: -0.509
local terms energy: -155.409444
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -34.641
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.179 (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: 282
Temperature: 1.100000
Total energy: -483.558519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.558519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.738812 (E_RNA)
where:
Base-Base interactions energy: -349.316
where: short stacking energy: -142.372
Base-Backbone interact. energy: -0.094
local terms energy: -134.327948
where:
bonds (distance) C4'-P energy: -23.130
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -22.721
tors. eta vs tors. theta energy: -35.065
Dist. restrs. and SS energy: 0.180 (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: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -485.806740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.806740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.942655 (E_RNA)
where:
Base-Base interactions energy: -346.905
where: short stacking energy: -133.915
Base-Backbone interact. energy: -0.578
local terms energy: -138.459467
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -22.350
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -35.431
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -447.232740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.232740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.005734 (E_RNA)
where:
Base-Base interactions energy: -299.694
where: short stacking energy: -117.676
Base-Backbone interact. energy: -0.560
local terms energy: -147.752082
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -35.076
Dist. restrs. and SS energy: 0.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -453.532684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.532684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.842694 (E_RNA)
where:
Base-Base interactions energy: -318.690
where: short stacking energy: -122.580
Base-Backbone interact. energy: -0.104
local terms energy: -135.049168
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -442.957629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.957629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.260091 (E_RNA)
where:
Base-Base interactions energy: -319.416
where: short stacking energy: -121.326
Base-Backbone interact. energy: 0.449
local terms energy: -124.292818
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -30.558
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -412.871246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.871246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.494291 (E_RNA)
where:
Base-Base interactions energy: -290.842
where: short stacking energy: -122.390
Base-Backbone interact. energy: 1.014
local terms energy: -123.666547
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -35.488
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -530.057868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.057868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.082117 (E_RNA)
where:
Base-Base interactions energy: -371.190
where: short stacking energy: -155.329
Base-Backbone interact. energy: -0.629
local terms energy: -158.263188
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -44.641
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -533.612601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.612601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.768877 (E_RNA)
where:
Base-Base interactions energy: -376.168
where: short stacking energy: -154.290
Base-Backbone interact. energy: -0.312
local terms energy: -157.288961
where:
bonds (distance) C4'-P energy: -32.410
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -39.167
Dist. restrs. and SS energy: 0.156 (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: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -498.881414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.881414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.097986 (E_RNA)
where:
Base-Base interactions energy: -351.375
where: short stacking energy: -148.281
Base-Backbone interact. energy: -2.310
local terms energy: -145.413624
where:
bonds (distance) C4'-P energy: -29.451
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -42.057
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -496.459480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.459480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.632332 (E_RNA)
where:
Base-Base interactions energy: -342.487
where: short stacking energy: -137.648
Base-Backbone interact. energy: -1.538
local terms energy: -152.606920
where:
bonds (distance) C4'-P energy: -31.776
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.173 (S_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: 283
Temperature: 1.100000
Total energy: -476.930941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.930941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.687750 (E_RNA)
where:
Base-Base interactions energy: -334.586
where: short stacking energy: -139.492
Base-Backbone interact. energy: -1.248
local terms energy: -141.853225
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -33.551
Dist. restrs. and SS energy: 0.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -463.391103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.391103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.844618 (E_RNA)
where:
Base-Base interactions energy: -323.152
where: short stacking energy: -129.029
Base-Backbone interact. energy: -0.906
local terms energy: -139.786887
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -33.580
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -34.691
Dist. restrs. and SS energy: 0.454 (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: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -466.997791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.997791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.032110 (E_RNA)
where:
Base-Base interactions energy: -321.761
where: short stacking energy: -133.571
Base-Backbone interact. energy: -0.350
local terms energy: -144.920317
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -37.159
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -455.397546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.397546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.693861 (E_RNA)
where:
Base-Base interactions energy: -321.145
where: short stacking energy: -128.775
Base-Backbone interact. energy: -0.188
local terms energy: -134.360543
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -32.731
Dist. restrs. and SS energy: 0.296 (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: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -418.133912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.133912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.789113 (E_RNA)
where:
Base-Base interactions energy: -294.010
where: short stacking energy: -114.795
Base-Backbone interact. energy: -0.580
local terms energy: -124.199552
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -27.805
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: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -409.446701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.446701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.969867 (E_RNA)
where:
Base-Base interactions energy: -292.971
where: short stacking energy: -112.914
Base-Backbone interact. energy: 2.054
local terms energy: -119.053468
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.523 (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: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -532.894791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.894791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.985185 (E_RNA)
where:
Base-Base interactions energy: -377.086
where: short stacking energy: -157.372
Base-Backbone interact. energy: -0.367
local terms energy: -155.532198
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -23.905
tors. eta vs tors. theta energy: -39.437
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -526.791865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.791865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.131469 (E_RNA)
where:
Base-Base interactions energy: -372.611
where: short stacking energy: -157.509
Base-Backbone interact. energy: -0.601
local terms energy: -153.919561
where:
bonds (distance) C4'-P energy: -27.477
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -41.322
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -505.488542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.488542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.593079 (E_RNA)
where:
Base-Base interactions energy: -358.263
where: short stacking energy: -133.841
Base-Backbone interact. energy: -1.316
local terms energy: -146.014974
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -31.614
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -488.308360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.308360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.206486 (E_RNA)
where:
Base-Base interactions energy: -342.043
where: short stacking energy: -127.368
Base-Backbone interact. energy: 0.137
local terms energy: -147.300558
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -28.158
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: -34.104
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -460.607847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.607847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.688674 (E_RNA)
where:
Base-Base interactions energy: -322.990
where: short stacking energy: -124.714
Base-Backbone interact. energy: -0.339
local terms energy: -137.359047
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -35.015
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -30.131
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -461.668873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.668873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.933359 (E_RNA)
where:
Base-Base interactions energy: -332.665
where: short stacking energy: -140.448
Base-Backbone interact. energy: -1.484
local terms energy: -127.784216
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -31.792
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -31.631
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -490.560535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.560535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.748814 (E_RNA)
where:
Base-Base interactions energy: -349.584
where: short stacking energy: -140.389
Base-Backbone interact. energy: -0.596
local terms energy: -140.568506
where:
bonds (distance) C4'-P energy: -24.414
bonds (distance) P-C4' energy: -25.305
flat angles C4'-P-C4' energy: -30.898
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -38.841
Dist. restrs. and SS energy: 0.188 (S_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: 284
Temperature: 1.250000
Total energy: -452.767533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.767533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.224056 (E_RNA)
where:
Base-Base interactions energy: -309.362
where: short stacking energy: -121.964
Base-Backbone interact. energy: -0.531
local terms energy: -143.331692
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -33.128
Dist. restrs. and SS energy: 0.457 (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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -414.028445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.028445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.313736 (E_RNA)
where:
Base-Base interactions energy: -298.583
where: short stacking energy: -115.072
Base-Backbone interact. energy: -0.427
local terms energy: -115.303540
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -25.190
flat angles C4'-P-C4' energy: -23.838
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -408.182887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.182887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.248953 (E_RNA)
where:
Base-Base interactions energy: -305.905
where: short stacking energy: -119.332
Base-Backbone interact. energy: -0.670
local terms energy: -101.673913
where:
bonds (distance) C4'-P energy: -23.376
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -25.128
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.066 (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: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -533.005394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.005394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.056499 (E_RNA)
where:
Base-Base interactions energy: -375.932
where: short stacking energy: -147.146
Base-Backbone interact. energy: 0.336
local terms energy: -157.460899
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: -42.291
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -537.299855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.299855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.433418 (E_RNA)
where:
Base-Base interactions energy: -376.128
where: short stacking energy: -152.545
Base-Backbone interact. energy: -0.265
local terms energy: -161.040039
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -42.118
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. 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: -493.208430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.208430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.346025 (E_RNA)
where:
Base-Base interactions energy: -351.434
where: short stacking energy: -136.557
Base-Backbone interact. energy: -1.296
local terms energy: -140.615628
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -31.463
flat angles C4'-P-C4' energy: -34.435
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -32.691
Dist. restrs. and SS energy: 0.138 (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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -497.914698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.914698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.275079 (E_RNA)
where:
Base-Base interactions energy: -355.823
where: short stacking energy: -137.137
Base-Backbone interact. energy: -0.569
local terms energy: -141.882548
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -470.424642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.424642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.766284 (E_RNA)
where:
Base-Base interactions energy: -329.117
where: short stacking energy: -137.275
Base-Backbone interact. energy: -0.527
local terms energy: -141.122305
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -459.846816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.846816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.052828 (E_RNA)
where:
Base-Base interactions energy: -326.737
where: short stacking energy: -122.964
Base-Backbone interact. energy: -0.920
local terms energy: -132.395648
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -32.239
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -467.980856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.980856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.215023 (E_RNA)
where:
Base-Base interactions energy: -330.684
where: short stacking energy: -127.576
Base-Backbone interact. energy: -1.735
local terms energy: -135.796245
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -24.537
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -31.234
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -457.315043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.315043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.552752 (E_RNA)
where:
Base-Base interactions energy: -329.387
where: short stacking energy: -133.347
Base-Backbone interact. energy: 0.871
local terms energy: -129.036746
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -31.877
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -428.556064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.556064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.617436 (E_RNA)
where:
Base-Base interactions energy: -310.298
where: short stacking energy: -115.444
Base-Backbone interact. energy: 0.024
local terms energy: -118.343289
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -26.994
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -410.957719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.957719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.475120 (E_RNA)
where:
Base-Base interactions energy: -289.481
where: short stacking energy: -111.731
Base-Backbone interact. energy: -0.507
local terms energy: -121.487728
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -30.541
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -26.028
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -531.710511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.710511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.140388 (E_RNA)
where:
Base-Base interactions energy: -380.783
where: short stacking energy: -156.302
Base-Backbone interact. energy: 3.546
local terms energy: -154.903605
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -37.943
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -536.867928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.867928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.971629 (E_RNA)
where:
Base-Base interactions energy: -385.023
where: short stacking energy: -156.423
Base-Backbone interact. energy: -0.449
local terms energy: -151.498872
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -29.871
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -46.141
Dist. restrs. and SS energy: 0.104 (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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -505.933327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.933327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.124001 (E_RNA)
where:
Base-Base interactions energy: -364.646
where: short stacking energy: -143.672
Base-Backbone interact. energy: 2.883
local terms energy: -144.361671
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -25.276
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -21.719
tors. eta vs tors. theta energy: -36.385
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -497.276004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.276004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.437116 (E_RNA)
where:
Base-Base interactions energy: -363.440
where: short stacking energy: -144.120
Base-Backbone interact. energy: 0.643
local terms energy: -134.640574
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -26.180
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -503.301727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.301727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.517401 (E_RNA)
where:
Base-Base interactions energy: -359.834
where: short stacking energy: -146.057
Base-Backbone interact. energy: -0.454
local terms energy: -143.228965
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -40.348
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -476.339449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.339449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.722956 (E_RNA)
where:
Base-Base interactions energy: -342.168
where: short stacking energy: -140.328
Base-Backbone interact. energy: -0.566
local terms energy: -136.988926
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -34.773
Dist. restrs. and SS energy: 3.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -481.711672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.711672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.312183 (E_RNA)
where:
Base-Base interactions energy: -354.208
where: short stacking energy: -144.189
Base-Backbone interact. energy: -0.389
local terms energy: -127.715325
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -31.169
Dist. restrs. and SS energy: 0.601 (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: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -458.333874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.333874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.713025 (E_RNA)
where:
Base-Base interactions energy: -319.602
where: short stacking energy: -124.531
Base-Backbone interact. energy: -0.858
local terms energy: -138.253404
where:
bonds (distance) C4'-P energy: -27.621
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -29.660
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -423.083954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.083954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.789843 (E_RNA)
where:
Base-Base interactions energy: -299.020
where: short stacking energy: -112.875
Base-Backbone interact. energy: 0.334
local terms energy: -125.103566
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -28.170
flat angles C4'-P-C4' energy: -27.742
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -23.590
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: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -411.796718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.796718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.954434 (E_RNA)
where:
Base-Base interactions energy: -293.166
where: short stacking energy: -107.368
Base-Backbone interact. energy: -0.345
local terms energy: -118.444229
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -28.008
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -545.324286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.324286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.362476 (E_RNA)
where:
Base-Base interactions energy: -398.364
where: short stacking energy: -156.390
Base-Backbone interact. energy: -0.752
local terms energy: -146.246569
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -25.634
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -532.487175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.487175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.554796 (E_RNA)
where:
Base-Base interactions energy: -376.392
where: short stacking energy: -152.512
Base-Backbone interact. energy: -0.458
local terms energy: -155.705433
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -42.848
Dist. restrs. and SS energy: 0.068 (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: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -508.716943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.716943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.395792 (E_RNA)
where:
Base-Base interactions energy: -370.402
where: short stacking energy: -150.947
Base-Backbone interact. energy: -0.730
local terms energy: -138.263330
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -24.362
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -24.504
tors. eta vs tors. theta energy: -37.488
Dist. restrs. and SS energy: 0.679 (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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -512.820466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.820466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.919800 (E_RNA)
where:
Base-Base interactions energy: -367.485
where: short stacking energy: -145.244
Base-Backbone interact. energy: -0.684
local terms energy: -144.750693
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -37.287
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -485.929729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.929729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.461850 (E_RNA)
where:
Base-Base interactions energy: -357.655
where: short stacking energy: -141.203
Base-Backbone interact. energy: -0.418
local terms energy: -128.388648
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -491.296796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.296796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.456418 (E_RNA)
where:
Base-Base interactions energy: -352.671
where: short stacking energy: -139.069
Base-Backbone interact. energy: -0.345
local terms energy: -138.440497
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -38.437
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -439.645250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.645250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.802819 (E_RNA)
where:
Base-Base interactions energy: -315.964
where: short stacking energy: -120.815
Base-Backbone interact. energy: 0.386
local terms energy: -124.225118
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -31.734
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -454.023741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.023741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.433923 (E_RNA)
where:
Base-Base interactions energy: -319.034
where: short stacking energy: -134.584
Base-Backbone interact. energy: -0.260
local terms energy: -135.140033
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -434.328538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.328538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.749482 (E_RNA)
where:
Base-Base interactions energy: -319.281
where: short stacking energy: -121.664
Base-Backbone interact. energy: -1.174
local terms energy: -114.294602
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -26.812
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -402.797500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.797500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.930205 (E_RNA)
where:
Base-Base interactions energy: -296.057
where: short stacking energy: -110.445
Base-Backbone interact. energy: -0.154
local terms energy: -109.719306
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -27.443
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -535.636601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.636601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.866337 (E_RNA)
where:
Base-Base interactions energy: -379.427
where: short stacking energy: -157.604
Base-Backbone interact. energy: -0.261
local terms energy: -156.177772
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -32.500
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -45.472
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -517.453330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.453330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.729930 (E_RNA)
where:
Base-Base interactions energy: -380.464
where: short stacking energy: -151.486
Base-Backbone interact. energy: 0.286
local terms energy: -137.551429
where:
bonds (distance) C4'-P energy: -24.476
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -34.690
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -40.113
Dist. restrs. and SS energy: 0.277 (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: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -510.867684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.867684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.969909 (E_RNA)
where:
Base-Base interactions energy: -358.461
where: short stacking energy: -148.041
Base-Backbone interact. energy: -0.773
local terms energy: -151.735442
where:
bonds (distance) C4'-P energy: -26.116
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.102 (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: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -499.851259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.851259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.193056 (E_RNA)
where:
Base-Base interactions energy: -348.760
where: short stacking energy: -138.105
Base-Backbone interact. energy: -0.156
local terms energy: -151.277304
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -25.714
tors. eta vs tors. theta energy: -36.076
Dist. restrs. and SS energy: 0.342 (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: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -483.278944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.278944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.900306 (E_RNA)
where:
Base-Base interactions energy: -343.792
where: short stacking energy: -131.012
Base-Backbone interact. energy: -0.476
local terms energy: -139.632828
where:
bonds (distance) C4'-P energy: -24.041
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -35.690
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -464.636761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.636761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.871116 (E_RNA)
where:
Base-Base interactions energy: -330.194
where: short stacking energy: -129.589
Base-Backbone interact. energy: -0.386
local terms energy: -135.291259
where:
bonds (distance) C4'-P energy: -23.049
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -32.250
Dist. restrs. and SS energy: 1.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -446.702211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.702211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.194405 (E_RNA)
where:
Base-Base interactions energy: -318.477
where: short stacking energy: -127.061
Base-Backbone interact. energy: -0.230
local terms energy: -128.487442
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -29.536
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -29.440
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: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -434.046154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.046154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.389041 (E_RNA)
where:
Base-Base interactions energy: -299.770
where: short stacking energy: -119.799
Base-Backbone interact. energy: -0.562
local terms energy: -134.057803
where:
bonds (distance) C4'-P energy: -23.113
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -32.431
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -455.398542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.398542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.784791 (E_RNA)
where:
Base-Base interactions energy: -329.421
where: short stacking energy: -125.262
Base-Backbone interact. energy: 0.002
local terms energy: -126.366066
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -27.904
Dist. restrs. and SS energy: 0.386 (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: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -410.454559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.454559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.835997 (E_RNA)
where:
Base-Base interactions energy: -292.838
where: short stacking energy: -117.500
Base-Backbone interact. energy: -0.757
local terms energy: -117.241363
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -31.881
Dist. restrs. and SS energy: 0.381 (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: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -535.436329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.436329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.605661 (E_RNA)
where:
Base-Base interactions energy: -377.136
where: short stacking energy: -161.005
Base-Backbone interact. energy: -0.408
local terms energy: -158.061185
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -29.090
flat angles C4'-P-C4' energy: -36.313
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -41.524
Dist. restrs. and SS energy: 0.169 (S_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: 289
Temperature: 0.950000
Total energy: -527.316876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.316876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.398324 (E_RNA)
where:
Base-Base interactions energy: -368.083
where: short stacking energy: -152.792
Base-Backbone interact. energy: -1.195
local terms energy: -158.119828
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -34.054
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -40.444
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -522.841535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.841535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.093295 (E_RNA)
where:
Base-Base interactions energy: -366.315
where: short stacking energy: -145.365
Base-Backbone interact. energy: -0.260
local terms energy: -156.518902
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -38.701
Dist. restrs. and SS energy: 0.252 (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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -489.459361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.459361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.615693 (E_RNA)
where:
Base-Base interactions energy: -350.063
where: short stacking energy: -144.902
Base-Backbone interact. energy: 0.214
local terms energy: -139.766789
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.156 (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: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -477.154221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.154221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.448342 (E_RNA)
where:
Base-Base interactions energy: -338.574
where: short stacking energy: -136.760
Base-Backbone interact. energy: 0.181
local terms energy: -139.055572
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -477.302936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.302936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.583143 (E_RNA)
where:
Base-Base interactions energy: -336.495
where: short stacking energy: -132.697
Base-Backbone interact. energy: 2.449
local terms energy: -143.537625
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -434.124991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.124991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.363451 (E_RNA)
where:
Base-Base interactions energy: -306.977
where: short stacking energy: -126.927
Base-Backbone interact. energy: -0.230
local terms energy: -127.156692
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -33.673
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -432.037900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.037900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.305439 (E_RNA)
where:
Base-Base interactions energy: -297.119
where: short stacking energy: -112.889
Base-Backbone interact. energy: -1.701
local terms energy: -133.486074
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -25.515
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.268 (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: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -443.059623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.059623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.631850 (E_RNA)
where:
Base-Base interactions energy: -319.008
where: short stacking energy: -126.773
Base-Backbone interact. energy: -0.426
local terms energy: -124.197860
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -36.959
Dist. restrs. and SS energy: 0.572 (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: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -419.695223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.568553 (E_RNA)
where:
Base-Base interactions energy: -308.261
where: short stacking energy: -124.797
Base-Backbone interact. energy: 0.028
local terms energy: -112.335540
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -533.375364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.375364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.479281 (E_RNA)
where:
Base-Base interactions energy: -373.272
where: short stacking energy: -162.255
Base-Backbone interact. energy: -2.014
local terms energy: -158.193447
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -24.816
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.104 (S_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: 290
Temperature: 0.950000
Total energy: -526.987144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.987144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.853599 (E_RNA)
where:
Base-Base interactions energy: -375.227
where: short stacking energy: -158.578
Base-Backbone interact. energy: -0.708
local terms energy: -151.917830
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -515.723788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.723788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.783253 (E_RNA)
where:
Base-Base interactions energy: -364.747
where: short stacking energy: -150.853
Base-Backbone interact. energy: -0.461
local terms energy: -150.575980
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -490.234926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.234926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.541854 (E_RNA)
where:
Base-Base interactions energy: -347.780
where: short stacking energy: -146.793
Base-Backbone interact. energy: -0.688
local terms energy: -142.073840
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -39.482
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -468.233435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.233435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.663886 (E_RNA)
where:
Base-Base interactions energy: -334.156
where: short stacking energy: -129.406
Base-Backbone interact. energy: -2.554
local terms energy: -131.953852
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -34.285
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -477.566378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.566378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.691350 (E_RNA)
where:
Base-Base interactions energy: -336.506
where: short stacking energy: -134.572
Base-Backbone interact. energy: -0.747
local terms energy: -140.438439
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -33.871
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -463.571440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.571440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.227570 (E_RNA)
where:
Base-Base interactions energy: -327.338
where: short stacking energy: -126.901
Base-Backbone interact. energy: -0.824
local terms energy: -136.065860
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -452.825076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.825076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.895483 (E_RNA)
where:
Base-Base interactions energy: -317.179
where: short stacking energy: -132.391
Base-Backbone interact. energy: -0.189
local terms energy: -139.527559
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -35.852
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: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -419.131915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.131915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.315062 (E_RNA)
where:
Base-Base interactions energy: -292.263
where: short stacking energy: -112.161
Base-Backbone interact. energy: -1.017
local terms energy: -126.035018
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.183 (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: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -418.594386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.594386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.858299 (E_RNA)
where:
Base-Base interactions energy: -307.605
where: short stacking energy: -117.884
Base-Backbone interact. energy: -0.385
local terms energy: -110.868721
where:
bonds (distance) C4'-P energy: -19.737
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -25.501
Dist. restrs. and SS energy: 0.264 (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: 291
Temperature: 0.900000
Total energy: -528.622874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.622874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.993154 (E_RNA)
where:
Base-Base interactions energy: -370.487
where: short stacking energy: -160.557
Base-Backbone interact. energy: -0.759
local terms energy: -157.747192
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -42.799
Dist. restrs. and SS energy: 0.370 (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: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -524.362554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.362554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.545285 (E_RNA)
where:
Base-Base interactions energy: -376.205
where: short stacking energy: -143.352
Base-Backbone interact. energy: 0.564
local terms energy: -148.904476
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.183 (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: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -510.591571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.591571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.845799 (E_RNA)
where:
Base-Base interactions energy: -362.327
where: short stacking energy: -145.077
Base-Backbone interact. energy: 0.156
local terms energy: -148.674508
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: -38.325
Dist. restrs. and SS energy: 0.254 (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: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -504.705795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.705795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.862174 (E_RNA)
where:
Base-Base interactions energy: -353.169
where: short stacking energy: -147.495
Base-Backbone interact. energy: -0.158
local terms energy: -151.535215
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -39.585
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -498.677926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.677926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.517212 (E_RNA)
where:
Base-Base interactions energy: -358.574
where: short stacking energy: -149.350
Base-Backbone interact. energy: 0.993
local terms energy: -142.935958
where:
bonds (distance) C4'-P energy: -30.479
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 1.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -475.918368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.918368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.155658 (E_RNA)
where:
Base-Base interactions energy: -336.183
where: short stacking energy: -132.734
Base-Backbone interact. energy: -0.647
local terms energy: -139.325247
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -34.315
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -459.782539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.782539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.023114 (E_RNA)
where:
Base-Base interactions energy: -327.402
where: short stacking energy: -123.622
Base-Backbone interact. energy: -0.846
local terms energy: -131.775318
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -30.770
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -27.325
Dist. restrs. and SS energy: 0.241 (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: 291
Temperature: 1.250000
Total energy: -433.432285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.432285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.035555 (E_RNA)
where:
Base-Base interactions energy: -303.393
where: short stacking energy: -115.878
Base-Backbone interact. energy: -0.734
local terms energy: -129.909338
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -21.734
tors. eta vs tors. theta energy: -29.515
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -413.004645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.004645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.774903 (E_RNA)
where:
Base-Base interactions energy: -305.024
where: short stacking energy: -113.938
Base-Backbone interact. energy: 5.672
local terms energy: -114.422960
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -24.191
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -417.830953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.830953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.213900 (E_RNA)
where:
Base-Base interactions energy: -309.169
where: short stacking energy: -118.503
Base-Backbone interact. energy: -0.741
local terms energy: -108.303937
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -533.388393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.388393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.536535 (E_RNA)
where:
Base-Base interactions energy: -380.043
where: short stacking energy: -149.219
Base-Backbone interact. energy: -1.215
local terms energy: -152.277883
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -33.247
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -38.580
Dist. restrs. and SS energy: 0.148 (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: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -530.533555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.533555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.725252 (E_RNA)
where:
Base-Base interactions energy: -375.512
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.932
local terms energy: -154.281285
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -40.645
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -513.622612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.622612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.682794 (E_RNA)
where:
Base-Base interactions energy: -360.428
where: short stacking energy: -146.376
Base-Backbone interact. energy: 0.813
local terms energy: -154.067531
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -30.376
flat angles C4'-P-C4' energy: -33.115
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.060 (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: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -496.111398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.111398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.345735 (E_RNA)
where:
Base-Base interactions energy: -357.207
where: short stacking energy: -149.680
Base-Backbone interact. energy: -0.595
local terms energy: -138.543873
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -40.804
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -481.216935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.216935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.842542 (E_RNA)
where:
Base-Base interactions energy: -341.773
where: short stacking energy: -123.502
Base-Backbone interact. energy: 1.331
local terms energy: -141.400736
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -22.936
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -469.757515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.757515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.543323 (E_RNA)
where:
Base-Base interactions energy: -328.384
where: short stacking energy: -123.917
Base-Backbone interact. energy: -1.318
local terms energy: -140.841228
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -36.327
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -468.622731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.622731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.083171 (E_RNA)
where:
Base-Base interactions energy: -327.426
where: short stacking energy: -133.088
Base-Backbone interact. energy: 0.727
local terms energy: -142.383865
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -38.636
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -436.350607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.350607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.719775 (E_RNA)
where:
Base-Base interactions energy: -304.594
where: short stacking energy: -121.289
Base-Backbone interact. energy: -1.314
local terms energy: -130.811108
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -29.956
Dist. restrs. and SS energy: 0.369 (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: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -411.253440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.253440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.790441 (E_RNA)
where:
Base-Base interactions energy: -304.243
where: short stacking energy: -108.029
Base-Backbone interact. energy: -0.736
local terms energy: -106.811512
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -22.281
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: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -391.962591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.962591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.625204 (E_RNA)
where:
Base-Base interactions energy: -273.344
where: short stacking energy: -107.822
Base-Backbone interact. energy: 0.205
local terms energy: -119.485863
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -22.550
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: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -531.716813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.716813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.979914 (E_RNA)
where:
Base-Base interactions energy: -369.384
where: short stacking energy: -150.202
Base-Backbone interact. energy: -0.373
local terms energy: -162.223015
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.263 (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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -528.697126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.697126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.745911 (E_RNA)
where:
Base-Base interactions energy: -371.183
where: short stacking energy: -150.635
Base-Backbone interact. energy: -0.370
local terms energy: -157.192725
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -513.078064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.078064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.417560 (E_RNA)
where:
Base-Base interactions energy: -355.791
where: short stacking energy: -149.112
Base-Backbone interact. energy: -1.208
local terms energy: -156.418224
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -40.869
Dist. restrs. and SS energy: 0.339 (S_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: 293
Temperature: 1.050000
Total energy: -512.381217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.381217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.628780 (E_RNA)
where:
Base-Base interactions energy: -366.343
where: short stacking energy: -150.369
Base-Backbone interact. energy: -0.439
local terms energy: -145.846833
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -34.178
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -36.270
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: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -495.062916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.062916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.162149 (E_RNA)
where:
Base-Base interactions energy: -346.220
where: short stacking energy: -140.982
Base-Backbone interact. energy: -0.735
local terms energy: -148.206861
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -19.720
tors. eta vs tors. theta energy: -36.073
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -471.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.152315 (E_RNA)
where:
Base-Base interactions energy: -334.539
where: short stacking energy: -125.255
Base-Backbone interact. energy: -0.375
local terms energy: -137.238899
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -32.526
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -29.094
Dist. restrs. and SS energy: 0.412 (S_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: -461.915950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.915950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.058104 (E_RNA)
where:
Base-Base interactions energy: -342.619
where: short stacking energy: -135.084
Base-Backbone interact. energy: -1.208
local terms energy: -118.231170
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -30.911
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -458.978505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.978505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.399234 (E_RNA)
where:
Base-Base interactions energy: -317.106
where: short stacking energy: -120.284
Base-Backbone interact. energy: -0.530
local terms energy: -141.762709
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -36.587
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -444.527068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.527068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.166355 (E_RNA)
where:
Base-Base interactions energy: -326.656
where: short stacking energy: -138.605
Base-Backbone interact. energy: -0.526
local terms energy: -117.984998
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -27.639
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -33.940
Dist. restrs. and SS energy: 0.639 (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: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -412.305603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.305603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.888062 (E_RNA)
where:
Base-Base interactions energy: -289.700
where: short stacking energy: -111.796
Base-Backbone interact. energy: -0.625
local terms energy: -123.563330
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -27.889
Dist. restrs. and SS energy: 1.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -538.875931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.875931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.109186 (E_RNA)
where:
Base-Base interactions energy: -374.468
where: short stacking energy: -149.151
Base-Backbone interact. energy: 0.542
local terms energy: -165.183538
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -31.460
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -22.643
tors. eta vs tors. theta energy: -44.581
Dist. restrs. and SS energy: 0.233 (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: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -519.617089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.617089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.691307 (E_RNA)
where:
Base-Base interactions energy: -367.216
where: short stacking energy: -147.791
Base-Backbone interact. energy: -0.716
local terms energy: -151.759486
where:
bonds (distance) C4'-P energy: -28.572
bonds (distance) P-C4' energy: -28.478
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -36.745
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -504.065514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.065514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.104474 (E_RNA)
where:
Base-Base interactions energy: -352.910
where: short stacking energy: -142.383
Base-Backbone interact. energy: 0.086
local terms energy: -151.281198
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -36.806
Dist. restrs. and SS energy: 0.039 (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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -511.265150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.265150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.425666 (E_RNA)
where:
Base-Base interactions energy: -368.260
where: short stacking energy: -151.814
Base-Backbone interact. energy: -0.917
local terms energy: -142.248159
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -43.275
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -483.291578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.291578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.665689 (E_RNA)
where:
Base-Base interactions energy: -345.803
where: short stacking energy: -137.735
Base-Backbone interact. energy: -0.469
local terms energy: -137.394604
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -31.398
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -32.377
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: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -486.305922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.305922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.401718 (E_RNA)
where:
Base-Base interactions energy: -339.123
where: short stacking energy: -136.921
Base-Backbone interact. energy: -0.720
local terms energy: -146.558624
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -38.571
Dist. restrs. and SS energy: 0.096 (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: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -473.377177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.377177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.714644 (E_RNA)
where:
Base-Base interactions energy: -336.781
where: short stacking energy: -128.029
Base-Backbone interact. energy: -0.142
local terms energy: -136.791686
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -27.199
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -36.176
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -451.189528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.189528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.613348 (E_RNA)
where:
Base-Base interactions energy: -336.643
where: short stacking energy: -128.637
Base-Backbone interact. energy: 2.239
local terms energy: -117.209237
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -422.051798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.051798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.148527 (E_RNA)
where:
Base-Base interactions energy: -318.375
where: short stacking energy: -112.531
Base-Backbone interact. energy: -0.086
local terms energy: -103.686968
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -25.513
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -417.012233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.012233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.368170 (E_RNA)
where:
Base-Base interactions energy: -293.542
where: short stacking energy: -108.178
Base-Backbone interact. energy: -1.257
local terms energy: -122.569574
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -518.707903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.707903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.829051 (E_RNA)
where:
Base-Base interactions energy: -367.416
where: short stacking energy: -150.132
Base-Backbone interact. energy: -0.268
local terms energy: -151.145303
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -37.579
Dist. restrs. and SS energy: 0.121 (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: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -523.505574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.505574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.708831 (E_RNA)
where:
Base-Base interactions energy: -366.068
where: short stacking energy: -139.798
Base-Backbone interact. energy: -0.904
local terms energy: -156.736732
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -40.516
Dist. restrs. and SS energy: 0.203 (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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -500.709408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.815900 (E_RNA)
where:
Base-Base interactions energy: -354.827
where: short stacking energy: -138.448
Base-Backbone interact. energy: -0.474
local terms energy: -145.514165
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -32.276
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -36.855
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -477.116735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.116735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.557689 (E_RNA)
where:
Base-Base interactions energy: -343.038
where: short stacking energy: -132.261
Base-Backbone interact. energy: 1.004
local terms energy: -135.523494
where:
bonds (distance) C4'-P energy: -30.432
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -32.378
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -491.806397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.806397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.098343 (E_RNA)
where:
Base-Base interactions energy: -351.678
where: short stacking energy: -141.712
Base-Backbone interact. energy: 0.040
local terms energy: -140.460155
where:
bonds (distance) C4'-P energy: -26.467
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -29.233
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.292 (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: 295
Temperature: 1.150000
Total energy: -467.187108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.187108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.414926 (E_RNA)
where:
Base-Base interactions energy: -325.282
where: short stacking energy: -131.042
Base-Backbone interact. energy: -0.313
local terms energy: -141.820012
where:
bonds (distance) C4'-P energy: -28.100
bonds (distance) P-C4' energy: -23.590
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.228 (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: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -478.509678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.509678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.986468 (E_RNA)
where:
Base-Base interactions energy: -339.510
where: short stacking energy: -134.466
Base-Backbone interact. energy: -0.907
local terms energy: -138.569166
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -34.913
Dist. restrs. and SS energy: 0.477 (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: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -455.553992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.553992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.926856 (E_RNA)
where:
Base-Base interactions energy: -330.810
where: short stacking energy: -124.472
Base-Backbone interact. energy: -0.642
local terms energy: -124.474511
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -30.323
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -456.159689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.159689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.662601 (E_RNA)
where:
Base-Base interactions energy: -326.765
where: short stacking energy: -128.195
Base-Backbone interact. energy: -0.553
local terms energy: -129.344277
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -32.857
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -31.388
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -416.909026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.909026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.330737 (E_RNA)
where:
Base-Base interactions energy: -298.000
where: short stacking energy: -114.873
Base-Backbone interact. energy: 0.994
local terms energy: -122.324563
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -25.053
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -25.327
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: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -539.886311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.886311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.004151 (E_RNA)
where:
Base-Base interactions energy: -380.287
where: short stacking energy: -160.390
Base-Backbone interact. energy: -0.263
local terms energy: -159.454225
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -27.704
flat angles C4'-P-C4' energy: -35.425
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -524.065801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.065801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.065801 (E_RNA)
where:
Base-Base interactions energy: -370.558
where: short stacking energy: -144.395
Base-Backbone interact. energy: -0.402
local terms energy: -153.105979
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -41.972
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -483.471900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.471900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.195146 (E_RNA)
where:
Base-Base interactions energy: -335.677
where: short stacking energy: -127.254
Base-Backbone interact. energy: -0.604
local terms energy: -147.914429
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -32.476
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: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -498.088329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.088329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.399377 (E_RNA)
where:
Base-Base interactions energy: -351.105
where: short stacking energy: -145.785
Base-Backbone interact. energy: -0.646
local terms energy: -146.647613
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -33.623
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -41.803
Dist. restrs. and SS energy: 0.311 (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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -495.701175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.701175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.879631 (E_RNA)
where:
Base-Base interactions energy: -352.338
where: short stacking energy: -139.410
Base-Backbone interact. energy: -0.623
local terms energy: -142.918289
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -38.380
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -444.742782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.742782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.568663 (E_RNA)
where:
Base-Base interactions energy: -302.185
where: short stacking energy: -126.712
Base-Backbone interact. energy: -1.161
local terms energy: -142.222360
where:
bonds (distance) C4'-P energy: -30.116
bonds (distance) P-C4' energy: -25.899
flat angles C4'-P-C4' energy: -31.316
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -30.976
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -468.067926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.067926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.302026 (E_RNA)
where:
Base-Base interactions energy: -332.852
where: short stacking energy: -132.522
Base-Backbone interact. energy: -0.242
local terms energy: -135.208009
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -34.121
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -428.292307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.292307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.396087 (E_RNA)
where:
Base-Base interactions energy: -312.865
where: short stacking energy: -119.776
Base-Backbone interact. energy: -0.281
local terms energy: -115.251007
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.104 (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: 296
Temperature: 1.300000
Total energy: -424.529966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.529966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.614806 (E_RNA)
where:
Base-Base interactions energy: -304.041
where: short stacking energy: -116.003
Base-Backbone interact. energy: -0.182
local terms energy: -125.392270
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -28.507
flat angles C4'-P-C4' energy: -31.884
flat angles P-C4'-P energy: -22.264
tors. eta vs tors. theta energy: -26.309
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -424.866904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.866904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.907923 (E_RNA)
where:
Base-Base interactions energy: -299.220
where: short stacking energy: -113.935
Base-Backbone interact. energy: -1.264
local terms energy: -127.423511
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -27.685
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -28.355
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: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -536.156020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.156020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.336616 (E_RNA)
where:
Base-Base interactions energy: -375.990
where: short stacking energy: -155.774
Base-Backbone interact. energy: 0.195
local terms energy: -160.541860
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -34.570
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -42.537
Dist. restrs. and SS energy: 0.181 (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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -526.727368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.727368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.883659 (E_RNA)
where:
Base-Base interactions energy: -375.088
where: short stacking energy: -152.720
Base-Backbone interact. energy: -0.551
local terms energy: -151.244287
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -40.688
Dist. restrs. and SS energy: 0.156 (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: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -502.901561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.901561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.365538 (E_RNA)
where:
Base-Base interactions energy: -360.330
where: short stacking energy: -149.552
Base-Backbone interact. energy: -0.206
local terms energy: -142.830000
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -26.023
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -37.048
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -496.341964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.341964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.904572 (E_RNA)
where:
Base-Base interactions energy: -361.054
where: short stacking energy: -148.043
Base-Backbone interact. energy: -0.811
local terms energy: -135.040387
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -28.512
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.563 (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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -501.725314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.725314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.980894 (E_RNA)
where:
Base-Base interactions energy: -351.312
where: short stacking energy: -129.501
Base-Backbone interact. energy: 1.302
local terms energy: -151.971401
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -36.457
Dist. restrs. and SS energy: 0.256 (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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -477.755131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.755131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.908923 (E_RNA)
where:
Base-Base interactions energy: -342.672
where: short stacking energy: -134.248
Base-Backbone interact. energy: -0.516
local terms energy: -134.721028
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -33.635
Dist. restrs. and SS energy: 0.154 (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: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -453.964537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.964537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.268201 (E_RNA)
where:
Base-Base interactions energy: -323.745
where: short stacking energy: -117.201
Base-Backbone interact. energy: -1.327
local terms energy: -129.195924
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -443.942281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.942281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.206918 (E_RNA)
where:
Base-Base interactions energy: -307.009
where: short stacking energy: -117.316
Base-Backbone interact. energy: -0.163
local terms energy: -137.034545
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -445.934664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.934664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.367862 (E_RNA)
where:
Base-Base interactions energy: -328.805
where: short stacking energy: -134.104
Base-Backbone interact. energy: 3.099
local terms energy: -120.661741
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -32.496
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -390.858694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.858694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.882978 (E_RNA)
where:
Base-Base interactions energy: -283.514
where: short stacking energy: -109.521
Base-Backbone interact. energy: -1.703
local terms energy: -108.665758
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -27.588
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: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -534.149917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.149917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.890759 (E_RNA)
where:
Base-Base interactions energy: -374.528
where: short stacking energy: -156.827
Base-Backbone interact. energy: -0.186
local terms energy: -160.176538
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -33.025
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -41.026
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -513.533692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.533692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.611759 (E_RNA)
where:
Base-Base interactions energy: -364.653
where: short stacking energy: -147.969
Base-Backbone interact. energy: -0.863
local terms energy: -148.095709
where:
bonds (distance) C4'-P energy: -30.339
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -38.302
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -511.233014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.233014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.301032 (E_RNA)
where:
Base-Base interactions energy: -369.126
where: short stacking energy: -143.148
Base-Backbone interact. energy: -1.090
local terms energy: -141.085666
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -28.150
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -22.770
tors. eta vs tors. theta energy: -36.656
Dist. restrs. and SS energy: 0.068 (S_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: 298
Temperature: 1.050000
Total energy: -489.180394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.180394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.463647 (E_RNA)
where:
Base-Base interactions energy: -343.036
where: short stacking energy: -129.099
Base-Backbone interact. energy: -0.580
local terms energy: -145.847904
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -39.233
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -468.144803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.144803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.591727 (E_RNA)
where:
Base-Base interactions energy: -331.613
where: short stacking energy: -131.836
Base-Backbone interact. energy: -0.663
local terms energy: -136.316430
where:
bonds (distance) C4'-P energy: -29.184
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -479.319278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.319278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.833710 (E_RNA)
where:
Base-Base interactions energy: -347.469
where: short stacking energy: -131.536
Base-Backbone interact. energy: 1.037
local terms energy: -133.401469
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -24.536
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -32.762
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -458.727776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.727776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.931320 (E_RNA)
where:
Base-Base interactions energy: -315.242
where: short stacking energy: -126.684
Base-Backbone interact. energy: -0.258
local terms energy: -143.431757
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -36.204
Dist. restrs. and SS energy: 0.204 (S_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: 298
Temperature: 1.250000
Total energy: -452.277535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.277535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.768770 (E_RNA)
where:
Base-Base interactions energy: -318.832
where: short stacking energy: -126.110
Base-Backbone interact. energy: -2.002
local terms energy: -131.934405
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -19.282
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.491 (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: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -418.686595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.686595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.196391 (E_RNA)
where:
Base-Base interactions energy: -297.425
where: short stacking energy: -112.914
Base-Backbone interact. energy: -0.471
local terms energy: -121.299683
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -27.915
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: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -434.304165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.496162 (E_RNA)
where:
Base-Base interactions energy: -325.430
where: short stacking energy: -122.915
Base-Backbone interact. energy: -1.018
local terms energy: -108.047511
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -29.656
Dist. restrs. and SS energy: 0.192 (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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -532.107412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.107412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.211979 (E_RNA)
where:
Base-Base interactions energy: -381.893
where: short stacking energy: -148.886
Base-Backbone interact. energy: -0.341
local terms energy: -149.977383
where:
bonds (distance) C4'-P energy: -28.691
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -23.058
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -512.596712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.596712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.715055 (E_RNA)
where:
Base-Base interactions energy: -361.719
where: short stacking energy: -149.108
Base-Backbone interact. energy: -0.625
local terms energy: -150.371132
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -41.179
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -509.755417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.755417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.022922 (E_RNA)
where:
Base-Base interactions energy: -361.941
where: short stacking energy: -143.762
Base-Backbone interact. energy: -0.566
local terms energy: -147.515334
where:
bonds (distance) C4'-P energy: -24.998
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -31.310
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -38.093
Dist. restrs. and SS energy: 0.268 (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: 299
Temperature: 1.050000
Total energy: -491.149961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.149961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.193394 (E_RNA)
where:
Base-Base interactions energy: -348.239
where: short stacking energy: -131.966
Base-Backbone interact. energy: 0.644
local terms energy: -143.597708
where:
bonds (distance) C4'-P energy: -26.579
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -29.389
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -34.182
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -481.382091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.382091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.159198 (E_RNA)
where:
Base-Base interactions energy: -342.997
where: short stacking energy: -123.412
Base-Backbone interact. energy: 0.821
local terms energy: -139.983453
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -19.439
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -480.182107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.182107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.449515 (E_RNA)
where:
Base-Base interactions energy: -339.553
where: short stacking energy: -142.141
Base-Backbone interact. energy: -0.302
local terms energy: -140.594239
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: -32.983
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -471.895800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.895800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.060646 (E_RNA)
where:
Base-Base interactions energy: -348.030
where: short stacking energy: -126.847
Base-Backbone interact. energy: -1.419
local terms energy: -122.611629
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -24.894
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -30.921
Dist. restrs. and SS energy: 0.165 (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: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -438.270778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.270778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.699944 (E_RNA)
where:
Base-Base interactions energy: -316.730
where: short stacking energy: -127.877
Base-Backbone interact. energy: -0.572
local terms energy: -121.398644
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -428.205417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.205417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.838651 (E_RNA)
where:
Base-Base interactions energy: -305.649
where: short stacking energy: -118.112
Base-Backbone interact. energy: 0.186
local terms energy: -123.375195
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -36.418
Dist. restrs. and SS energy: 0.633 (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: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -441.501305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.501305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.531520 (E_RNA)
where:
Base-Base interactions energy: -316.399
where: short stacking energy: -115.877
Base-Backbone interact. energy: 2.784
local terms energy: -127.916137
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -23.723
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -540.805750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.805750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.908427 (E_RNA)
where:
Base-Base interactions energy: -382.375
where: short stacking energy: -160.856
Base-Backbone interact. energy: -0.667
local terms energy: -157.866769
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -35.274
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -43.393
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -525.567584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.567584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.755029 (E_RNA)
where:
Base-Base interactions energy: -380.276
where: short stacking energy: -147.561
Base-Backbone interact. energy: -1.079
local terms energy: -144.399918
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -39.607
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -504.893349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.893349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.084141 (E_RNA)
where:
Base-Base interactions energy: -358.735
where: short stacking energy: -147.130
Base-Backbone interact. energy: -0.153
local terms energy: -146.195812
where:
bonds (distance) C4'-P energy: -30.633
bonds (distance) P-C4' energy: -29.067
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -37.948
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -512.543688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.543688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.873489 (E_RNA)
where:
Base-Base interactions energy: -374.503
where: short stacking energy: -136.638
Base-Backbone interact. energy: -0.515
local terms energy: -137.855981
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -37.818
Dist. restrs. and SS energy: 0.330 (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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -478.329996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.329996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.626954 (E_RNA)
where:
Base-Base interactions energy: -338.815
where: short stacking energy: -134.868
Base-Backbone interact. energy: -0.485
local terms energy: -139.327281
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -35.091
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -466.209636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.209636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.381211 (E_RNA)
where:
Base-Base interactions energy: -336.776
where: short stacking energy: -129.168
Base-Backbone interact. energy: -0.494
local terms energy: -129.111147
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -31.556
Dist. restrs. and SS energy: 0.172 (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: 5
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -475.311438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.311438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.591576 (E_RNA)
where:
Base-Base interactions energy: -332.166
where: short stacking energy: -134.409
Base-Backbone interact. energy: -0.483
local terms energy: -142.942439
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -39.831
Dist. restrs. and SS energy: 0.280 (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: 300
Temperature: 1.250000
Total energy: -448.500779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.500779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.683505 (E_RNA)
where:
Base-Base interactions energy: -315.497
where: short stacking energy: -123.369
Base-Backbone interact. energy: -0.297
local terms energy: -132.888939
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -30.797
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -30.031
Dist. restrs. and SS energy: 0.183 (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: 300
Temperature: 1.300000
Total energy: -448.583008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.583008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.844085 (E_RNA)
where:
Base-Base interactions energy: -321.758
where: short stacking energy: -124.416
Base-Backbone interact. energy: -1.386
local terms energy: -125.700669
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -26.742
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -30.245
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -413.055358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.055358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.643377 (E_RNA)
where:
Base-Base interactions energy: -298.948
where: short stacking energy: -113.098
Base-Backbone interact. energy: 2.612
local terms energy: -117.307229
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -31.896
flat angles C4'-P-C4' energy: -25.293
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -557.754606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.754606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.856520 (E_RNA)
where:
Base-Base interactions energy: -391.217
where: short stacking energy: -163.511
Base-Backbone interact. energy: 0.592
local terms energy: -167.231948
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -42.958
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -521.781473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.781473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.903958 (E_RNA)
where:
Base-Base interactions energy: -365.771
where: short stacking energy: -154.405
Base-Backbone interact. energy: -2.492
local terms energy: -153.641568
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -44.542
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -514.737942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.737942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.094422 (E_RNA)
where:
Base-Base interactions energy: -367.594
where: short stacking energy: -145.576
Base-Backbone interact. energy: 0.840
local terms energy: -148.340756
where:
bonds (distance) C4'-P energy: -26.011
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -21.231
tors. eta vs tors. theta energy: -40.667
Dist. restrs. and SS energy: 0.356 (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: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -504.062951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.062951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.466715 (E_RNA)
where:
Base-Base interactions energy: -351.111
where: short stacking energy: -144.126
Base-Backbone interact. energy: -1.392
local terms energy: -151.964129
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -41.518
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -497.960130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.960130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.413849 (E_RNA)
where:
Base-Base interactions energy: -346.617
where: short stacking energy: -142.976
Base-Backbone interact. energy: -1.018
local terms energy: -150.779068
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -31.695
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -36.592
Dist. restrs. and SS energy: 0.454 (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: 301
Temperature: 1.150000
Total energy: -467.765326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.069815 (E_RNA)
where:
Base-Base interactions energy: -322.878
where: short stacking energy: -120.779
Base-Backbone interact. energy: -1.048
local terms energy: -144.143594
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -32.414
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -28.228
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -471.245431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.245431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.582886 (E_RNA)
where:
Base-Base interactions energy: -338.002
where: short stacking energy: -127.735
Base-Backbone interact. energy: -0.641
local terms energy: -132.939572
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -35.763
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: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -450.925691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.925691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.263102 (E_RNA)
where:
Base-Base interactions energy: -317.409
where: short stacking energy: -125.477
Base-Backbone interact. energy: -0.289
local terms energy: -133.564670
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -29.496
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: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -416.513779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.715903 (E_RNA)
where:
Base-Base interactions energy: -296.734
where: short stacking energy: -115.789
Base-Backbone interact. energy: -0.758
local terms energy: -119.223708
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -438.820189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.820189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.128624 (E_RNA)
where:
Base-Base interactions energy: -308.195
where: short stacking energy: -117.408
Base-Backbone interact. energy: 1.013
local terms energy: -131.946636
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -31.751
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -528.455147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.455147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.518344 (E_RNA)
where:
Base-Base interactions energy: -374.869
where: short stacking energy: -154.245
Base-Backbone interact. energy: -0.279
local terms energy: -153.369922
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -33.765
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -37.381
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -517.062800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.062800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.197176 (E_RNA)
where:
Base-Base interactions energy: -369.988
where: short stacking energy: -148.676
Base-Backbone interact. energy: 0.226
local terms energy: -147.435719
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -34.506
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -510.837954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.837954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.234016 (E_RNA)
where:
Base-Base interactions energy: -354.578
where: short stacking energy: -145.709
Base-Backbone interact. energy: -0.465
local terms energy: -156.190143
where:
bonds (distance) C4'-P energy: -31.605
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -22.207
tors. eta vs tors. theta energy: -39.112
Dist. restrs. and SS energy: 0.396 (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: 302
Temperature: 1.050000
Total energy: -513.094776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.094776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.272579 (E_RNA)
where:
Base-Base interactions energy: -363.093
where: short stacking energy: -144.363
Base-Backbone interact. energy: -0.724
local terms energy: -149.454799
where:
bonds (distance) C4'-P energy: -29.772
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.084
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -39.866
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -485.094752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.094752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.456869 (E_RNA)
where:
Base-Base interactions energy: -340.957
where: short stacking energy: -130.811
Base-Backbone interact. energy: 1.436
local terms energy: -146.935253
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -33.419
Dist. restrs. and SS energy: 1.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -485.452563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.452563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.526752 (E_RNA)
where:
Base-Base interactions energy: -339.374
where: short stacking energy: -130.676
Base-Backbone interact. energy: -0.515
local terms energy: -145.637788
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -34.384
Dist. restrs. and SS energy: 0.074 (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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -477.660531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.660531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.600954 (E_RNA)
where:
Base-Base interactions energy: -342.598
where: short stacking energy: -141.592
Base-Backbone interact. energy: -0.636
local terms energy: -135.365995
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -36.987
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -479.653510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.653510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.656610 (E_RNA)
where:
Base-Base interactions energy: -345.193
where: short stacking energy: -135.228
Base-Backbone interact. energy: 2.627
local terms energy: -137.090915
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -33.761
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -426.484398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.484398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.236278 (E_RNA)
where:
Base-Base interactions energy: -301.463
where: short stacking energy: -120.507
Base-Backbone interact. energy: -0.282
local terms energy: -125.491781
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -32.296
Dist. restrs. and SS energy: 0.752 (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: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -417.261481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.261481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.582622 (E_RNA)
where:
Base-Base interactions energy: -294.336
where: short stacking energy: -119.344
Base-Backbone interact. energy: -0.303
local terms energy: -122.943143
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -29.212
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -529.676387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.676387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.717700 (E_RNA)
where:
Base-Base interactions energy: -373.821
where: short stacking energy: -158.274
Base-Backbone interact. energy: 1.081
local terms energy: -156.977990
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -31.602
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.041 (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: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -516.376507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.376507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.402010 (E_RNA)
where:
Base-Base interactions energy: -364.880
where: short stacking energy: -156.261
Base-Backbone interact. energy: -1.300
local terms energy: -150.222006
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.026 (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: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -516.044992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.044992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.079271 (E_RNA)
where:
Base-Base interactions energy: -364.729
where: short stacking energy: -140.018
Base-Backbone interact. energy: -0.639
local terms energy: -150.711343
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -39.699
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -503.165564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.165564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.432757 (E_RNA)
where:
Base-Base interactions energy: -362.476
where: short stacking energy: -149.621
Base-Backbone interact. energy: -0.161
local terms energy: -140.795723
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -35.630
Dist. restrs. and SS energy: 0.267 (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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -487.763873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.763873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.880107 (E_RNA)
where:
Base-Base interactions energy: -348.290
where: short stacking energy: -131.104
Base-Backbone interact. energy: -1.357
local terms energy: -138.233215
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -38.365
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -471.337466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.337466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.434710 (E_RNA)
where:
Base-Base interactions energy: -331.654
where: short stacking energy: -135.788
Base-Backbone interact. energy: -0.328
local terms energy: -139.453156
where:
bonds (distance) C4'-P energy: -27.265
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -35.226
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -464.758669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.758669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.825184 (E_RNA)
where:
Base-Base interactions energy: -327.715
where: short stacking energy: -132.207
Base-Backbone interact. energy: -0.087
local terms energy: -137.023237
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.067 (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: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -432.076579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.076579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.240913 (E_RNA)
where:
Base-Base interactions energy: -325.576
where: short stacking energy: -126.020
Base-Backbone interact. energy: -0.142
local terms energy: -106.522583
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -29.709
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -438.956820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.956820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.283183 (E_RNA)
where:
Base-Base interactions energy: -326.657
where: short stacking energy: -125.875
Base-Backbone interact. energy: 0.007
local terms energy: -112.633403
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -27.281
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -31.415
Dist. restrs. and SS energy: 0.326 (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: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -423.406767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.406767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.692074 (E_RNA)
where:
Base-Base interactions energy: -303.402
where: short stacking energy: -109.697
Base-Backbone interact. energy: 1.270
local terms energy: -121.560329
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -535.762856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.762856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.098975 (E_RNA)
where:
Base-Base interactions energy: -372.508
where: short stacking energy: -156.209
Base-Backbone interact. energy: 0.066
local terms energy: -163.657675
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -35.204
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -41.442
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -529.640045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.640045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.696900 (E_RNA)
where:
Base-Base interactions energy: -373.015
where: short stacking energy: -143.410
Base-Backbone interact. energy: -0.693
local terms energy: -155.988952
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: -39.840
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -516.312941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.312941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.395154 (E_RNA)
where:
Base-Base interactions energy: -360.391
where: short stacking energy: -151.367
Base-Backbone interact. energy: -0.408
local terms energy: -155.596216
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -41.722
Dist. restrs. and SS energy: 0.082 (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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -475.387426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.387426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.740733 (E_RNA)
where:
Base-Base interactions energy: -336.676
where: short stacking energy: -127.069
Base-Backbone interact. energy: -0.879
local terms energy: -138.186419
where:
bonds (distance) C4'-P energy: -29.273
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -29.022
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -29.292
Dist. restrs. and SS energy: 0.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -479.924951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.924951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.011659 (E_RNA)
where:
Base-Base interactions energy: -343.788
where: short stacking energy: -141.989
Base-Backbone interact. energy: -0.330
local terms energy: -135.892845
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -24.969
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -37.137
Dist. restrs. and SS energy: 0.087 (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: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -488.755098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.755098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.954180 (E_RNA)
where:
Base-Base interactions energy: -339.879
where: short stacking energy: -136.499
Base-Backbone interact. energy: 0.043
local terms energy: -149.117394
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -32.443
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -35.178
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -473.561741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.561741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.796431 (E_RNA)
where:
Base-Base interactions energy: -338.032
where: short stacking energy: -129.205
Base-Backbone interact. energy: -0.666
local terms energy: -135.098662
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -29.829
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -31.557
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -440.122107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.122107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.476919 (E_RNA)
where:
Base-Base interactions energy: -312.939
where: short stacking energy: -128.222
Base-Backbone interact. energy: 1.850
local terms energy: -129.387967
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -27.476
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -30.422
Dist. restrs. and SS energy: 0.355 (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: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -406.506184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.506184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.778918 (E_RNA)
where:
Base-Base interactions energy: -283.626
where: short stacking energy: -106.754
Base-Backbone interact. energy: -0.222
local terms energy: -122.930801
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -414.299016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.299016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.686955 (E_RNA)
where:
Base-Base interactions energy: -292.304
where: short stacking energy: -110.782
Base-Backbone interact. energy: -0.233
local terms energy: -122.150026
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -531.094454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.094454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.185684 (E_RNA)
where:
Base-Base interactions energy: -373.734
where: short stacking energy: -153.189
Base-Backbone interact. energy: 0.044
local terms energy: -157.495495
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -526.402560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.402560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.774068 (E_RNA)
where:
Base-Base interactions energy: -367.181
where: short stacking energy: -148.283
Base-Backbone interact. energy: -0.598
local terms energy: -158.995480
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -35.490
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -510.205672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.205672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.793428 (E_RNA)
where:
Base-Base interactions energy: -360.343
where: short stacking energy: -153.631
Base-Backbone interact. energy: -0.596
local terms energy: -149.854385
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -39.819
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -485.956861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.956861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.050882 (E_RNA)
where:
Base-Base interactions energy: -338.309
where: short stacking energy: -133.505
Base-Backbone interact. energy: -0.445
local terms energy: -147.297731
where:
bonds (distance) C4'-P energy: -31.971
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -483.258425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.258425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.612856 (E_RNA)
where:
Base-Base interactions energy: -342.879
where: short stacking energy: -133.832
Base-Backbone interact. energy: 3.962
local terms energy: -144.696627
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -472.813647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.813647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.023319 (E_RNA)
where:
Base-Base interactions energy: -342.030
where: short stacking energy: -130.893
Base-Backbone interact. energy: 0.057
local terms energy: -131.050053
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -34.104
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -470.537607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.537607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.755584 (E_RNA)
where:
Base-Base interactions energy: -341.207
where: short stacking energy: -131.262
Base-Backbone interact. energy: -0.789
local terms energy: -128.759461
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -28.265
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.218 (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: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -445.923031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.923031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.285700 (E_RNA)
where:
Base-Base interactions energy: -319.497
where: short stacking energy: -128.167
Base-Backbone interact. energy: -0.306
local terms energy: -126.482223
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -398.360453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.360453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.576258 (E_RNA)
where:
Base-Base interactions energy: -289.565
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.282
local terms energy: -110.729483
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -30.899
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -14.650
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: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -450.666825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.666825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.050089 (E_RNA)
where:
Base-Base interactions energy: -322.277
where: short stacking energy: -131.313
Base-Backbone interact. energy: 0.328
local terms energy: -129.100870
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -29.922
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -30.497
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -532.286656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.286656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.467987 (E_RNA)
where:
Base-Base interactions energy: -374.038
where: short stacking energy: -161.600
Base-Backbone interact. energy: 0.705
local terms energy: -159.135325
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.181 (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: 306
Temperature: 0.950000
Total energy: -528.579980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.579980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.891494 (E_RNA)
where:
Base-Base interactions energy: -373.233
where: short stacking energy: -149.216
Base-Backbone interact. energy: -0.662
local terms energy: -154.995969
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -38.804
Dist. restrs. and SS energy: 0.312 (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: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -514.236208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.236208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.982854 (E_RNA)
where:
Base-Base interactions energy: -366.431
where: short stacking energy: -145.465
Base-Backbone interact. energy: -0.493
local terms energy: -148.059403
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -41.497
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -496.209462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.209462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.375832 (E_RNA)
where:
Base-Base interactions energy: -345.582
where: short stacking energy: -139.775
Base-Backbone interact. energy: -3.334
local terms energy: -147.459417
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -37.249
Dist. restrs. and SS energy: 0.166 (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: 306
Temperature: 1.100000
Total energy: -471.688588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.688588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.789335 (E_RNA)
where:
Base-Base interactions energy: -353.408
where: short stacking energy: -129.382
Base-Backbone interact. energy: -0.255
local terms energy: -118.126667
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -26.475
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -33.026
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -487.369140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.369140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.196404 (E_RNA)
where:
Base-Base interactions energy: -340.450
where: short stacking energy: -137.949
Base-Backbone interact. energy: -0.758
local terms energy: -146.988612
where:
bonds (distance) C4'-P energy: -30.220
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -37.680
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: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -481.509277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.509277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.795214 (E_RNA)
where:
Base-Base interactions energy: -340.074
where: short stacking energy: -136.365
Base-Backbone interact. energy: 0.783
local terms energy: -142.504042
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -449.917206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.917206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.081292 (E_RNA)
where:
Base-Base interactions energy: -315.631
where: short stacking energy: -122.456
Base-Backbone interact. energy: -0.466
local terms energy: -133.984229
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -425.865921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.865921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.978260 (E_RNA)
where:
Base-Base interactions energy: -304.070
where: short stacking energy: -122.452
Base-Backbone interact. energy: -0.684
local terms energy: -121.224264
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.112 (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: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -424.301049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.301049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.778778 (E_RNA)
where:
Base-Base interactions energy: -303.542
where: short stacking energy: -118.798
Base-Backbone interact. energy: -0.279
local terms energy: -122.957909
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -32.667
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -528.343998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.343998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.609159 (E_RNA)
where:
Base-Base interactions energy: -368.650
where: short stacking energy: -157.397
Base-Backbone interact. energy: 0.223
local terms energy: -160.182767
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -38.344
Dist. restrs. and SS energy: 0.265 (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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -522.114458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.114458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.573418 (E_RNA)
where:
Base-Base interactions energy: -363.311
where: short stacking energy: -149.220
Base-Backbone interact. energy: -0.658
local terms energy: -158.604919
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -42.462
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -510.848376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.848376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.057001 (E_RNA)
where:
Base-Base interactions energy: -364.530
where: short stacking energy: -148.507
Base-Backbone interact. energy: 0.612
local terms energy: -147.139177
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -30.134
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -37.562
Dist. restrs. and SS energy: 0.209 (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: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -491.761093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.761093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.025296 (E_RNA)
where:
Base-Base interactions energy: -346.480
where: short stacking energy: -139.568
Base-Backbone interact. energy: 0.054
local terms energy: -145.598477
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -39.398
Dist. restrs. and SS energy: 0.264 (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: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -477.318612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.318612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.829867 (E_RNA)
where:
Base-Base interactions energy: -334.432
where: short stacking energy: -132.833
Base-Backbone interact. energy: -0.325
local terms energy: -143.073100
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -31.402
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -36.986
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -478.457508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.457508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.772449 (E_RNA)
where:
Base-Base interactions energy: -339.455
where: short stacking energy: -133.760
Base-Backbone interact. energy: -1.024
local terms energy: -138.293622
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -18.755
tors. eta vs tors. theta energy: -33.982
Dist. restrs. and SS energy: 0.315 (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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -449.246900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.246900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.498469 (E_RNA)
where:
Base-Base interactions energy: -328.759
where: short stacking energy: -140.049
Base-Backbone interact. energy: -0.374
local terms energy: -120.365838
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -30.157
Dist. restrs. and SS energy: 0.252 (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: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -440.171772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.171772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.439678 (E_RNA)
where:
Base-Base interactions energy: -314.950
where: short stacking energy: -130.814
Base-Backbone interact. energy: -0.390
local terms energy: -125.099009
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.268 (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: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -435.585487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.585487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.750772 (E_RNA)
where:
Base-Base interactions energy: -309.792
where: short stacking energy: -121.377
Base-Backbone interact. energy: -0.366
local terms energy: -125.593068
where:
bonds (distance) C4'-P energy: -29.188
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -28.134
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.165 (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: 307
Temperature: 1.350000
Total energy: -439.922467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.922467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.873386 (E_RNA)
where:
Base-Base interactions energy: -305.265
where: short stacking energy: -130.155
Base-Backbone interact. energy: -0.145
local terms energy: -135.463788
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -23.424
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -18.648
tors. eta vs tors. theta energy: -39.181
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -531.884817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.884817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.200452 (E_RNA)
where:
Base-Base interactions energy: -374.902
where: short stacking energy: -158.284
Base-Backbone interact. energy: -0.570
local terms energy: -156.728710
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -41.053
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -527.324719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.324719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.574935 (E_RNA)
where:
Base-Base interactions energy: -370.047
where: short stacking energy: -154.899
Base-Backbone interact. energy: -0.317
local terms energy: -157.210367
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.250 (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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -505.256642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.256642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.328034 (E_RNA)
where:
Base-Base interactions energy: -351.562
where: short stacking energy: -133.656
Base-Backbone interact. energy: -0.416
local terms energy: -153.350056
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -29.605
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -493.743331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.743331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.416492 (E_RNA)
where:
Base-Base interactions energy: -355.179
where: short stacking energy: -148.414
Base-Backbone interact. energy: -0.570
local terms energy: -138.667200
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -27.111
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -37.989
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -497.594532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.594532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.851088 (E_RNA)
where:
Base-Base interactions energy: -352.961
where: short stacking energy: -151.677
Base-Backbone interact. energy: -0.221
local terms energy: -144.668809
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -31.348
flat angles P-C4'-P energy: -19.411
tors. eta vs tors. theta energy: -42.614
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -473.331778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.331778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.882084 (E_RNA)
where:
Base-Base interactions energy: -342.745
where: short stacking energy: -135.963
Base-Backbone interact. energy: -0.460
local terms energy: -130.677129
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -27.478
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -35.939
Dist. restrs. and SS energy: 0.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -467.840037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.840037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.022474 (E_RNA)
where:
Base-Base interactions energy: -333.158
where: short stacking energy: -135.519
Base-Backbone interact. energy: 0.293
local terms energy: -135.157054
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.182 (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: 308
Temperature: 1.250000
Total energy: -461.524547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.524547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.699324 (E_RNA)
where:
Base-Base interactions energy: -338.683
where: short stacking energy: -132.911
Base-Backbone interact. energy: -0.657
local terms energy: -122.359232
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -33.402
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -435.078100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.078100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.709580 (E_RNA)
where:
Base-Base interactions energy: -321.121
where: short stacking energy: -135.108
Base-Backbone interact. energy: 0.366
local terms energy: -114.954475
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -34.137
Dist. restrs. and SS energy: 0.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -427.567488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.567488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.977191 (E_RNA)
where:
Base-Base interactions energy: -297.572
where: short stacking energy: -109.673
Base-Backbone interact. energy: -0.762
local terms energy: -129.643083
where:
bonds (distance) C4'-P energy: -22.457
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -26.891
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -538.864246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.864246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.181007 (E_RNA)
where:
Base-Base interactions energy: -381.761
where: short stacking energy: -159.300
Base-Backbone interact. energy: 0.446
local terms energy: -157.866232
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -43.047
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -528.354227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.354227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.430830 (E_RNA)
where:
Base-Base interactions energy: -370.749
where: short stacking energy: -151.359
Base-Backbone interact. energy: -0.351
local terms energy: -157.331212
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -42.841
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -505.131170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.131170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.190462 (E_RNA)
where:
Base-Base interactions energy: -359.232
where: short stacking energy: -149.948
Base-Backbone interact. energy: 0.023
local terms energy: -145.981283
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -25.554
tors. eta vs tors. theta energy: -39.241
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -508.115671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.115671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.434188 (E_RNA)
where:
Base-Base interactions energy: -360.021
where: short stacking energy: -142.720
Base-Backbone interact. energy: 0.548
local terms energy: -148.961641
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -33.874
flat angles C4'-P-C4' energy: -25.715
flat angles P-C4'-P energy: -20.206
tors. eta vs tors. theta energy: -41.499
Dist. restrs. and SS energy: 0.319 (S_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: 309
Temperature: 1.100000
Total energy: -470.995595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.995595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.382395 (E_RNA)
where:
Base-Base interactions energy: -328.403
where: short stacking energy: -124.998
Base-Backbone interact. energy: -1.644
local terms energy: -141.334804
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -29.773
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -29.202
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -496.218189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.218189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.319205 (E_RNA)
where:
Base-Base interactions energy: -351.960
where: short stacking energy: -134.680
Base-Backbone interact. energy: -0.757
local terms energy: -143.602390
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -39.549
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -466.272433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.272433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.393466 (E_RNA)
where:
Base-Base interactions energy: -336.489
where: short stacking energy: -129.279
Base-Backbone interact. energy: 0.169
local terms energy: -130.074067
where:
bonds (distance) C4'-P energy: -25.623
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -30.045
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -34.525
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -447.711782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.711782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.842911 (E_RNA)
where:
Base-Base interactions energy: -311.505
where: short stacking energy: -122.933
Base-Backbone interact. energy: -0.941
local terms energy: -135.396748
where:
bonds (distance) C4'-P energy: -26.862
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -31.455
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -450.777006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.777006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.235757 (E_RNA)
where:
Base-Base interactions energy: -318.575
where: short stacking energy: -127.347
Base-Backbone interact. energy: -0.149
local terms energy: -132.512419
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -24.112
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.459 (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: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -418.775493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.775493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.257396 (E_RNA)
where:
Base-Base interactions energy: -301.161
where: short stacking energy: -116.353
Base-Backbone interact. energy: -0.322
local terms energy: -117.775090
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -36.070
Dist. restrs. and SS energy: 0.482 (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: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -536.332879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.332879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.425714 (E_RNA)
where:
Base-Base interactions energy: -385.732
where: short stacking energy: -164.473
Base-Backbone interact. energy: -1.949
local terms energy: -148.745027
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -35.393
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -43.121
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -520.815681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.815681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.061177 (E_RNA)
where:
Base-Base interactions energy: -366.656
where: short stacking energy: -145.224
Base-Backbone interact. energy: -0.857
local terms energy: -153.548684
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -33.646
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -508.704514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.704514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.191319 (E_RNA)
where:
Base-Base interactions energy: -353.796
where: short stacking energy: -144.292
Base-Backbone interact. energy: -1.522
local terms energy: -153.874061
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -46.979
Dist. restrs. and SS energy: 0.487 (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: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -509.427076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.427076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.693554 (E_RNA)
where:
Base-Base interactions energy: -352.707
where: short stacking energy: -144.827
Base-Backbone interact. energy: -0.858
local terms energy: -156.127675
where:
bonds (distance) C4'-P energy: -29.767
bonds (distance) P-C4' energy: -29.448
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.266 (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: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -469.559265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.559265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.777540 (E_RNA)
where:
Base-Base interactions energy: -323.830
where: short stacking energy: -132.204
Base-Backbone interact. energy: -0.651
local terms energy: -145.295930
where:
bonds (distance) C4'-P energy: -30.612
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -34.011
Dist. restrs. and SS energy: 0.218 (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: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -486.574891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.574891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.911414 (E_RNA)
where:
Base-Base interactions energy: -340.164
where: short stacking energy: -147.049
Base-Backbone interact. energy: -0.271
local terms energy: -146.475553
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -42.242
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -459.407443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.407443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.497597 (E_RNA)
where:
Base-Base interactions energy: -321.509
where: short stacking energy: -123.961
Base-Backbone interact. energy: 0.759
local terms energy: -138.747472
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -19.057
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -468.845146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.845146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.084102 (E_RNA)
where:
Base-Base interactions energy: -331.367
where: short stacking energy: -138.720
Base-Backbone interact. energy: 0.386
local terms energy: -138.103556
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -39.660
Dist. restrs. and SS energy: 0.239 (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: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -417.858395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.858395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.150152 (E_RNA)
where:
Base-Base interactions energy: -297.305
where: short stacking energy: -124.702
Base-Backbone interact. energy: 1.111
local terms energy: -121.956856
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -432.176078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.176078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.528340 (E_RNA)
where:
Base-Base interactions energy: -313.966
where: short stacking energy: -123.342
Base-Backbone interact. energy: -0.335
local terms energy: -118.226845
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -31.994
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -536.960902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.960902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.030031 (E_RNA)
where:
Base-Base interactions energy: -372.906
where: short stacking energy: -164.656
Base-Backbone interact. energy: -0.251
local terms energy: -163.873668
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -30.687
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -45.179
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -531.584081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.584081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.608442 (E_RNA)
where:
Base-Base interactions energy: -384.382
where: short stacking energy: -158.968
Base-Backbone interact. energy: 0.458
local terms energy: -147.684358
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.024 (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: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -523.736525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.736525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.828742 (E_RNA)
where:
Base-Base interactions energy: -377.190
where: short stacking energy: -163.123
Base-Backbone interact. energy: -0.571
local terms energy: -146.067407
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -38.006
Dist. restrs. and SS energy: 0.092 (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: 311
Temperature: 1.050000
Total energy: -492.197764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.197764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.406874 (E_RNA)
where:
Base-Base interactions energy: -340.635
where: short stacking energy: -135.177
Base-Backbone interact. energy: -0.654
local terms energy: -151.118420
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -20.394
tors. eta vs tors. theta energy: -35.826
Dist. restrs. and SS energy: 0.209 (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: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -483.433765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.433765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.596816 (E_RNA)
where:
Base-Base interactions energy: -346.109
where: short stacking energy: -132.787
Base-Backbone interact. energy: -0.776
local terms energy: -136.712566
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -32.756
Dist. restrs. and SS energy: 0.163 (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: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -479.572586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.572586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.944859 (E_RNA)
where:
Base-Base interactions energy: -332.966
where: short stacking energy: -137.131
Base-Backbone interact. energy: 0.108
local terms energy: -147.086734
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -30.598
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -474.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.467796 (E_RNA)
where:
Base-Base interactions energy: -342.059
where: short stacking energy: -135.665
Base-Backbone interact. energy: -1.155
local terms energy: -131.254370
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -24.338
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -31.181
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -432.320507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.320507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.677759 (E_RNA)
where:
Base-Base interactions energy: -308.308
where: short stacking energy: -117.058
Base-Backbone interact. energy: 0.262
local terms energy: -124.631695
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -30.293
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -434.298700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.298700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.532882 (E_RNA)
where:
Base-Base interactions energy: -304.169
where: short stacking energy: -118.158
Base-Backbone interact. energy: -0.369
local terms energy: -129.994299
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.234 (S_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: 311
Temperature: 1.350000
Total energy: -433.117006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.117006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.352968 (E_RNA)
where:
Base-Base interactions energy: -319.768
where: short stacking energy: -118.647
Base-Backbone interact. energy: -0.251
local terms energy: -113.334420
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -536.951070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.951070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.089410 (E_RNA)
where:
Base-Base interactions energy: -381.111
where: short stacking energy: -158.612
Base-Backbone interact. energy: 0.747
local terms energy: -156.726248
where:
bonds (distance) C4'-P energy: -33.804
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -39.384
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -505.537187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.537187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.756689 (E_RNA)
where:
Base-Base interactions energy: -345.807
where: short stacking energy: -142.665
Base-Backbone interact. energy: -1.223
local terms energy: -158.727123
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -31.672
flat angles C4'-P-C4' energy: -30.270
flat angles P-C4'-P energy: -23.879
tors. eta vs tors. theta energy: -39.166
Dist. restrs. and SS energy: 0.220 (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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -522.354433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.354433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.551459 (E_RNA)
where:
Base-Base interactions energy: -370.248
where: short stacking energy: -156.428
Base-Backbone interact. energy: -0.372
local terms energy: -151.931727
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -34.074
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -39.949
Dist. restrs. and SS energy: 0.197 (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: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -496.603316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.603316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.674635 (E_RNA)
where:
Base-Base interactions energy: -347.985
where: short stacking energy: -143.555
Base-Backbone interact. energy: -0.810
local terms energy: -147.879108
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -25.678
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.071 (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: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -493.148053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.148053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.639525 (E_RNA)
where:
Base-Base interactions energy: -346.613
where: short stacking energy: -139.381
Base-Backbone interact. energy: -0.484
local terms energy: -146.541827
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -24.394
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -36.386
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -459.682434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.682434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.839025 (E_RNA)
where:
Base-Base interactions energy: -331.651
where: short stacking energy: -137.278
Base-Backbone interact. energy: -0.793
local terms energy: -128.394524
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -35.054
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: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -479.328706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.328706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.788230 (E_RNA)
where:
Base-Base interactions energy: -342.218
where: short stacking energy: -143.582
Base-Backbone interact. energy: 3.789
local terms energy: -141.359471
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -39.002
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -455.771091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.771091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.973899 (E_RNA)
where:
Base-Base interactions energy: -324.607
where: short stacking energy: -127.357
Base-Backbone interact. energy: -0.658
local terms energy: -130.708938
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -28.451
flat angles C4'-P-C4' energy: -33.941
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.203 (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: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -447.172615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.172615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.279214 (E_RNA)
where:
Base-Base interactions energy: -325.269
where: short stacking energy: -126.332
Base-Backbone interact. energy: -0.154
local terms energy: -121.856272
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -34.269
Dist. restrs. and SS energy: 0.107 (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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -423.006804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.006804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.210943 (E_RNA)
where:
Base-Base interactions energy: -304.913
where: short stacking energy: -112.614
Base-Backbone interact. energy: 2.458
local terms energy: -120.755542
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -535.198501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.198501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.337759 (E_RNA)
where:
Base-Base interactions energy: -376.481
where: short stacking energy: -160.405
Base-Backbone interact. energy: -0.447
local terms energy: -158.409494
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -41.558
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -517.182116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.182116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.501844 (E_RNA)
where:
Base-Base interactions energy: -363.711
where: short stacking energy: -163.946
Base-Backbone interact. energy: 0.113
local terms energy: -153.903786
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -26.812
flat angles C4'-P-C4' energy: -32.868
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -44.390
Dist. restrs. and SS energy: 0.320 (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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -521.350164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.350164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.758760 (E_RNA)
where:
Base-Base interactions energy: -372.745
where: short stacking energy: -148.520
Base-Backbone interact. energy: -1.246
local terms energy: -147.767550
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -39.194
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: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -496.279913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.279913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.443305 (E_RNA)
where:
Base-Base interactions energy: -349.720
where: short stacking energy: -151.045
Base-Backbone interact. energy: -1.066
local terms energy: -145.657463
where:
bonds (distance) C4'-P energy: -24.822
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -42.227
Dist. restrs. and SS energy: 0.163 (S_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: 313
Temperature: 1.100000
Total energy: -481.638788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.638788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.163846 (E_RNA)
where:
Base-Base interactions energy: -347.929
where: short stacking energy: -128.241
Base-Backbone interact. energy: -0.053
local terms energy: -134.181294
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -25.533
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -35.659
Dist. restrs. and SS energy: 0.525 (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: 313
Temperature: 1.150000
Total energy: -477.907101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.907101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.467104 (E_RNA)
where:
Base-Base interactions energy: -335.210
where: short stacking energy: -139.023
Base-Backbone interact. energy: -1.092
local terms energy: -142.164867
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -27.712
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -32.561
Dist. restrs. and SS energy: 0.560 (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: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -468.909044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.909044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.317803 (E_RNA)
where:
Base-Base interactions energy: -334.039
where: short stacking energy: -134.117
Base-Backbone interact. energy: 0.193
local terms energy: -135.472391
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -31.253
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -38.873
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -455.937955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.937955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.355638 (E_RNA)
where:
Base-Base interactions energy: -323.658
where: short stacking energy: -127.539
Base-Backbone interact. energy: 2.523
local terms energy: -135.220185
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -33.084
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -33.121
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -430.491280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.491280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.823371 (E_RNA)
where:
Base-Base interactions energy: -305.942
where: short stacking energy: -122.333
Base-Backbone interact. energy: -0.634
local terms energy: -124.247194
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -27.554
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -409.588640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.588640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.733596 (E_RNA)
where:
Base-Base interactions energy: -301.963
where: short stacking energy: -121.976
Base-Backbone interact. energy: -0.248
local terms energy: -107.522275
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: 0.145 (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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -528.507135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.507135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.661637 (E_RNA)
where:
Base-Base interactions energy: -372.735
where: short stacking energy: -155.716
Base-Backbone interact. energy: -0.636
local terms energy: -155.290466
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -39.222
Dist. restrs. and SS energy: 0.155 (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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -522.845490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.845490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.939176 (E_RNA)
where:
Base-Base interactions energy: -374.625
where: short stacking energy: -154.587
Base-Backbone interact. energy: -0.149
local terms energy: -148.165181
where:
bonds (distance) C4'-P energy: -26.222
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -39.598
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -502.414716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.414716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.673326 (E_RNA)
where:
Base-Base interactions energy: -356.075
where: short stacking energy: -152.042
Base-Backbone interact. energy: 0.120
local terms energy: -146.718715
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -38.533
Dist. restrs. and SS energy: 0.259 (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: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -508.112228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.112228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.280037 (E_RNA)
where:
Base-Base interactions energy: -357.903
where: short stacking energy: -146.841
Base-Backbone interact. energy: -0.751
local terms energy: -150.625426
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -29.678
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -39.849
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -478.418397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.418397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.069816 (E_RNA)
where:
Base-Base interactions energy: -341.479
where: short stacking energy: -131.502
Base-Backbone interact. energy: 0.783
local terms energy: -138.373919
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -29.841
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -467.062076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.504658 (E_RNA)
where:
Base-Base interactions energy: -338.921
where: short stacking energy: -123.477
Base-Backbone interact. energy: -0.659
local terms energy: -127.924344
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -27.328
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -27.777
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -468.239041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.239041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.714376 (E_RNA)
where:
Base-Base interactions energy: -333.957
where: short stacking energy: -133.205
Base-Backbone interact. energy: -0.415
local terms energy: -134.342227
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -34.443
Dist. restrs. and SS energy: 0.475 (S_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: -462.416022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.416022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.725663 (E_RNA)
where:
Base-Base interactions energy: -330.066
where: short stacking energy: -122.747
Base-Backbone interact. energy: 0.146
local terms energy: -132.806026
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -27.323
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -20.873
tors. eta vs tors. theta energy: -31.400
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -427.314598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.314598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.862043 (E_RNA)
where:
Base-Base interactions energy: -303.835
where: short stacking energy: -118.566
Base-Backbone interact. energy: -0.446
local terms energy: -123.580719
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -24.283
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -23.732
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -396.000244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.000244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.372861 (E_RNA)
where:
Base-Base interactions energy: -283.689
where: short stacking energy: -96.144
Base-Backbone interact. energy: 0.421
local terms energy: -113.104788
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -32.760
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: 0.373 (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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -527.356392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.356392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.637694 (E_RNA)
where:
Base-Base interactions energy: -364.268
where: short stacking energy: -157.730
Base-Backbone interact. energy: -0.004
local terms energy: -163.365381
where:
bonds (distance) C4'-P energy: -29.462
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -42.221
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -524.154965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.154965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.224987 (E_RNA)
where:
Base-Base interactions energy: -366.855
where: short stacking energy: -143.791
Base-Backbone interact. energy: -0.145
local terms energy: -157.224944
where:
bonds (distance) C4'-P energy: -21.065
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -41.334
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -515.218458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.218458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.276234 (E_RNA)
where:
Base-Base interactions energy: -366.178
where: short stacking energy: -153.855
Base-Backbone interact. energy: -0.374
local terms energy: -148.724712
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -42.735
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -486.744411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.744411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.258156 (E_RNA)
where:
Base-Base interactions energy: -360.574
where: short stacking energy: -133.877
Base-Backbone interact. energy: 1.634
local terms energy: -128.318846
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -36.633
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -491.359843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.359843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.455381 (E_RNA)
where:
Base-Base interactions energy: -358.924
where: short stacking energy: -138.459
Base-Backbone interact. energy: -0.759
local terms energy: -131.772062
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -29.567
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -38.146
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -468.761102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.761102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.066729 (E_RNA)
where:
Base-Base interactions energy: -331.537
where: short stacking energy: -123.977
Base-Backbone interact. energy: -0.347
local terms energy: -137.182708
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -31.128
Dist. restrs. and SS energy: 0.306 (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: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -474.991766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.991766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.067554 (E_RNA)
where:
Base-Base interactions energy: -332.605
where: short stacking energy: -133.148
Base-Backbone interact. energy: 0.008
local terms energy: -142.470648
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -35.460
Dist. restrs. and SS energy: 0.076 (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: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -464.275134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.275134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.364711 (E_RNA)
where:
Base-Base interactions energy: -340.897
where: short stacking energy: -136.723
Base-Backbone interact. energy: -0.587
local terms energy: -122.880300
where:
bonds (distance) C4'-P energy: -27.701
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -453.654657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.654657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.854721 (E_RNA)
where:
Base-Base interactions energy: -322.065
where: short stacking energy: -126.039
Base-Backbone interact. energy: -0.305
local terms energy: -131.485195
where:
bonds (distance) C4'-P energy: -25.706
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -401.985277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.985277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.241048 (E_RNA)
where:
Base-Base interactions energy: -295.789
where: short stacking energy: -111.737
Base-Backbone interact. energy: -0.208
local terms energy: -106.243725
where:
bonds (distance) C4'-P energy: -24.228
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.256 (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: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -542.943387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.943387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.196359 (E_RNA)
where:
Base-Base interactions energy: -387.636
where: short stacking energy: -158.716
Base-Backbone interact. energy: -0.603
local terms energy: -154.957193
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -17.242
tors. eta vs tors. theta energy: -41.035
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -523.737129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.737129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.103742 (E_RNA)
where:
Base-Base interactions energy: -373.572
where: short stacking energy: -141.055
Base-Backbone interact. energy: -1.022
local terms energy: -149.509430
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -29.460
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -39.842
Dist. restrs. and SS energy: 0.367 (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: 316
Temperature: 1.000000
Total energy: -519.402333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.402333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.716318 (E_RNA)
where:
Base-Base interactions energy: -364.536
where: short stacking energy: -156.165
Base-Backbone interact. energy: 1.021
local terms energy: -156.202064
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -31.512
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -39.985
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -479.802348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.802348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.248086 (E_RNA)
where:
Base-Base interactions energy: -340.228
where: short stacking energy: -135.238
Base-Backbone interact. energy: 1.373
local terms energy: -141.392172
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -479.211809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.211809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.345867 (E_RNA)
where:
Base-Base interactions energy: -338.509
where: short stacking energy: -145.726
Base-Backbone interact. energy: 0.741
local terms energy: -141.577322
where:
bonds (distance) C4'-P energy: -26.076
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -37.334
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -489.521109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.521109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.010338 (E_RNA)
where:
Base-Base interactions energy: -352.612
where: short stacking energy: -143.280
Base-Backbone interact. energy: -0.566
local terms energy: -136.833079
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -38.295
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -472.131740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.131740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.361381 (E_RNA)
where:
Base-Base interactions energy: -337.028
where: short stacking energy: -129.426
Base-Backbone interact. energy: -0.472
local terms energy: -134.861221
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -25.927
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -36.783
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -454.792237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.792237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.024068 (E_RNA)
where:
Base-Base interactions energy: -328.385
where: short stacking energy: -121.797
Base-Backbone interact. energy: -0.487
local terms energy: -126.151963
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -30.766
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -427.785262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.785262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.197865 (E_RNA)
where:
Base-Base interactions energy: -308.705
where: short stacking energy: -115.140
Base-Backbone interact. energy: 0.329
local terms energy: -119.822054
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -29.704
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -446.120348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.120348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.534702 (E_RNA)
where:
Base-Base interactions energy: -323.860
where: short stacking energy: -130.278
Base-Backbone interact. energy: 0.100
local terms energy: -122.774963
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -539.174250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.174250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.398675 (E_RNA)
where:
Base-Base interactions energy: -380.176
where: short stacking energy: -152.012
Base-Backbone interact. energy: -0.716
local terms energy: -158.506630
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -42.597
Dist. restrs. and SS energy: 0.224 (S_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: 317
Temperature: 0.950000
Total energy: -533.646753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.646753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.781476 (E_RNA)
where:
Base-Base interactions energy: -370.040
where: short stacking energy: -155.479
Base-Backbone interact. energy: -0.232
local terms energy: -163.509453
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -29.736
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -38.927
Dist. restrs. and SS energy: 0.135 (S_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: 317
Temperature: 1.000000
Total energy: -511.588147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.588147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.839821 (E_RNA)
where:
Base-Base interactions energy: -357.402
where: short stacking energy: -147.608
Base-Backbone interact. energy: -0.086
local terms energy: -154.351961
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -33.009
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -39.282
Dist. restrs. and SS energy: 0.252 (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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -507.091040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.091040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.464121 (E_RNA)
where:
Base-Base interactions energy: -351.636
where: short stacking energy: -142.394
Base-Backbone interact. energy: -1.507
local terms energy: -154.320942
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -34.671
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -491.419609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.419609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.090788 (E_RNA)
where:
Base-Base interactions energy: -343.576
where: short stacking energy: -138.359
Base-Backbone interact. energy: -0.586
local terms energy: -147.929736
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -35.674
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -39.449
Dist. restrs. and SS energy: 0.671 (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: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -463.257893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.257893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.575433 (E_RNA)
where:
Base-Base interactions energy: -339.055
where: short stacking energy: -132.690
Base-Backbone interact. energy: -0.839
local terms energy: -123.681167
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -465.541412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.541412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.004502 (E_RNA)
where:
Base-Base interactions energy: -331.156
where: short stacking energy: -122.019
Base-Backbone interact. energy: -0.812
local terms energy: -134.037169
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -31.858
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -28.985
Dist. restrs. and SS energy: 0.463 (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: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -437.337540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.337540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.641004 (E_RNA)
where:
Base-Base interactions energy: -315.132
where: short stacking energy: -117.447
Base-Backbone interact. energy: -1.320
local terms energy: -121.188576
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.303 (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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -443.312859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.312859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.746137 (E_RNA)
where:
Base-Base interactions energy: -310.520
where: short stacking energy: -118.762
Base-Backbone interact. energy: -0.441
local terms energy: -132.785218
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -29.822
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -410.993696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.993696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.094044 (E_RNA)
where:
Base-Base interactions energy: -306.652
where: short stacking energy: -113.453
Base-Backbone interact. energy: -1.460
local terms energy: -102.981433
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.100 (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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -525.967401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.967401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.079802 (E_RNA)
where:
Base-Base interactions energy: -371.248
where: short stacking energy: -155.464
Base-Backbone interact. energy: 1.537
local terms energy: -156.368958
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -533.391344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.391344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.505561 (E_RNA)
where:
Base-Base interactions energy: -375.825
where: short stacking energy: -162.406
Base-Backbone interact. energy: -3.211
local terms energy: -154.469940
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -26.063
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -45.477
Dist. restrs. and SS energy: 0.114 (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: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -500.454786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.454786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.711645 (E_RNA)
where:
Base-Base interactions energy: -354.497
where: short stacking energy: -144.006
Base-Backbone interact. energy: -0.396
local terms energy: -145.818809
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -34.221
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -36.102
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -499.665017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.665017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.888833 (E_RNA)
where:
Base-Base interactions energy: -352.472
where: short stacking energy: -142.892
Base-Backbone interact. energy: -0.658
local terms energy: -146.758921
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -39.040
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -489.610037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.610037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.924300 (E_RNA)
where:
Base-Base interactions energy: -344.665
where: short stacking energy: -141.654
Base-Backbone interact. energy: -0.708
local terms energy: -144.551365
where:
bonds (distance) C4'-P energy: -26.814
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -37.263
Dist. restrs. and SS energy: 0.314 (S_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: -455.943613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.943613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.023459 (E_RNA)
where:
Base-Base interactions energy: -322.166
where: short stacking energy: -119.116
Base-Backbone interact. energy: -0.490
local terms energy: -133.367130
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -461.985095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.985095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.179909 (E_RNA)
where:
Base-Base interactions energy: -321.901
where: short stacking energy: -119.764
Base-Backbone interact. energy: 0.563
local terms energy: -140.841530
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -30.177
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -32.559
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -469.605295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.605295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.886780 (E_RNA)
where:
Base-Base interactions energy: -333.651
where: short stacking energy: -129.827
Base-Backbone interact. energy: -1.018
local terms energy: -135.217222
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -30.248
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.281 (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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -426.545734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.545734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.381151 (E_RNA)
where:
Base-Base interactions energy: -314.121
where: short stacking energy: -117.705
Base-Backbone interact. energy: -1.158
local terms energy: -112.102129
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -29.281
flat angles P-C4'-P energy: -24.116
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -419.150849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.150849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.745495 (E_RNA)
where:
Base-Base interactions energy: -306.328
where: short stacking energy: -119.046
Base-Backbone interact. energy: -0.497
local terms energy: -112.920931
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -32.389
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: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -530.695214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.695214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.017023 (E_RNA)
where:
Base-Base interactions energy: -373.689
where: short stacking energy: -157.681
Base-Backbone interact. energy: 0.211
local terms energy: -157.539149
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -27.656
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -41.228
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -519.512407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.512407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.729399 (E_RNA)
where:
Base-Base interactions energy: -364.610
where: short stacking energy: -149.673
Base-Backbone interact. energy: -0.245
local terms energy: -154.873906
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -34.346
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.217 (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: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -513.594083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.594083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.683494 (E_RNA)
where:
Base-Base interactions energy: -363.657
where: short stacking energy: -148.023
Base-Backbone interact. energy: 0.442
local terms energy: -150.468794
where:
bonds (distance) C4'-P energy: -23.835
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -38.696
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -486.473010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.473010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.750734 (E_RNA)
where:
Base-Base interactions energy: -340.597
where: short stacking energy: -136.786
Base-Backbone interact. energy: -0.362
local terms energy: -145.791099
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -32.683
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -480.245296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.245296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.599916 (E_RNA)
where:
Base-Base interactions energy: -330.921
where: short stacking energy: -135.554
Base-Backbone interact. energy: -0.543
local terms energy: -149.135916
where:
bonds (distance) C4'-P energy: -28.526
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -41.596
Dist. restrs. and SS energy: 0.355 (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: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -472.624335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.624335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.702388 (E_RNA)
where:
Base-Base interactions energy: -342.238
where: short stacking energy: -136.894
Base-Backbone interact. energy: -0.554
local terms energy: -129.910870
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -35.888
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -452.983058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.983058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.995988 (E_RNA)
where:
Base-Base interactions energy: -327.490
where: short stacking energy: -125.883
Base-Backbone interact. energy: -0.511
local terms energy: -124.995110
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -29.050
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -452.248898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.248898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.421201 (E_RNA)
where:
Base-Base interactions energy: -334.700
where: short stacking energy: -126.735
Base-Backbone interact. energy: -0.525
local terms energy: -117.195762
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -31.447
Dist. restrs. and SS energy: 0.172 (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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -461.881521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.881521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.145082 (E_RNA)
where:
Base-Base interactions energy: -349.408
where: short stacking energy: -131.996
Base-Backbone interact. energy: -0.552
local terms energy: -112.185370
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -436.417546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.417546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.644230 (E_RNA)
where:
Base-Base interactions energy: -320.709
where: short stacking energy: -125.260
Base-Backbone interact. energy: -0.470
local terms energy: -115.465329
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -23.776
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -32.713
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -535.378396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.378396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.430652 (E_RNA)
where:
Base-Base interactions energy: -377.083
where: short stacking energy: -162.021
Base-Backbone interact. energy: -0.369
local terms energy: -157.978874
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -30.224
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -42.955
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -529.347088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.347088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.359173 (E_RNA)
where:
Base-Base interactions energy: -365.939
where: short stacking energy: -152.703
Base-Backbone interact. energy: -0.303
local terms energy: -163.117339
where:
bonds (distance) C4'-P energy: -34.099
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -41.762
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -509.540902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.540902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.597010 (E_RNA)
where:
Base-Base interactions energy: -359.323
where: short stacking energy: -149.101
Base-Backbone interact. energy: -0.095
local terms energy: -150.179052
where:
bonds (distance) C4'-P energy: -29.369
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -36.056
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -499.569727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.569727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.695778 (E_RNA)
where:
Base-Base interactions energy: -353.812
where: short stacking energy: -143.464
Base-Backbone interact. energy: -0.282
local terms energy: -145.601806
where:
bonds (distance) C4'-P energy: -27.310
bonds (distance) P-C4' energy: -29.499
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -488.420793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.420793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.557378 (E_RNA)
where:
Base-Base interactions energy: -354.403
where: short stacking energy: -149.105
Base-Backbone interact. energy: 1.570
local terms energy: -135.724229
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -42.296
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -473.936616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.936616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.496830 (E_RNA)
where:
Base-Base interactions energy: -337.014
where: short stacking energy: -135.965
Base-Backbone interact. energy: -0.468
local terms energy: -137.014449
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -32.159
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -32.592
Dist. restrs. and SS energy: 0.560 (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: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -464.595506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.595506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.054739 (E_RNA)
where:
Base-Base interactions energy: -326.266
where: short stacking energy: -127.247
Base-Backbone interact. energy: 0.201
local terms energy: -138.989518
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -27.401
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -36.558
Dist. restrs. and SS energy: 0.459 (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: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -442.632296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.632296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.987615 (E_RNA)
where:
Base-Base interactions energy: -316.654
where: short stacking energy: -122.424
Base-Backbone interact. energy: -0.407
local terms energy: -125.926480
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -31.480
Dist. restrs. and SS energy: 0.355 (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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -434.941115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.941115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.073043 (E_RNA)
where:
Base-Base interactions energy: -314.228
where: short stacking energy: -118.853
Base-Backbone interact. energy: 0.965
local terms energy: -121.809498
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -25.253
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -30.530
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -420.067950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.067950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.213531 (E_RNA)
where:
Base-Base interactions energy: -317.714
where: short stacking energy: -114.272
Base-Backbone interact. energy: 0.492
local terms energy: -103.992135
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -531.112833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.112833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.229921 (E_RNA)
where:
Base-Base interactions energy: -374.378
where: short stacking energy: -152.971
Base-Backbone interact. energy: 0.494
local terms energy: -157.345615
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -37.763
Dist. restrs. and SS energy: 0.117 (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: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -520.072318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.072318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.248068 (E_RNA)
where:
Base-Base interactions energy: -369.748
where: short stacking energy: -156.081
Base-Backbone interact. energy: -1.561
local terms energy: -148.939479
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -32.062
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -40.686
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -513.165148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.165148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.244321 (E_RNA)
where:
Base-Base interactions energy: -357.513
where: short stacking energy: -139.768
Base-Backbone interact. energy: 0.948
local terms energy: -156.680073
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -42.311
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -492.605531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.605531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.731408 (E_RNA)
where:
Base-Base interactions energy: -353.584
where: short stacking energy: -151.757
Base-Backbone interact. energy: -0.585
local terms energy: -138.562100
where:
bonds (distance) C4'-P energy: -25.909
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -30.177
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -39.690
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -483.207146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.207146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.299626 (E_RNA)
where:
Base-Base interactions energy: -341.386
where: short stacking energy: -127.659
Base-Backbone interact. energy: -0.642
local terms energy: -141.271772
where:
bonds (distance) C4'-P energy: -32.699
bonds (distance) P-C4' energy: -25.733
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -33.528
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -489.900909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.900909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.044065 (E_RNA)
where:
Base-Base interactions energy: -367.373
where: short stacking energy: -139.405
Base-Backbone interact. energy: 0.252
local terms energy: -122.923338
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -22.236
tors. eta vs tors. theta energy: -37.509
Dist. restrs. and SS energy: 0.143 (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: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -481.229205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.229205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.564722 (E_RNA)
where:
Base-Base interactions energy: -343.687
where: short stacking energy: -147.222
Base-Backbone interact. energy: 0.721
local terms energy: -138.598939
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -23.947
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: -41.079
Dist. restrs. and SS energy: 0.336 (S_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: 321
Temperature: 1.250000
Total energy: -444.269371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.269371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.337461 (E_RNA)
where:
Base-Base interactions energy: -329.143
where: short stacking energy: -121.921
Base-Backbone interact. energy: -0.158
local terms energy: -115.036429
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -27.898
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -28.732
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -444.530048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.530048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.681168 (E_RNA)
where:
Base-Base interactions energy: -322.098
where: short stacking energy: -118.976
Base-Backbone interact. energy: -0.031
local terms energy: -122.552099
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -28.697
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -456.589103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.589103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.726720 (E_RNA)
where:
Base-Base interactions energy: -314.035
where: short stacking energy: -128.986
Base-Backbone interact. energy: -0.604
local terms energy: -142.087704
where:
bonds (distance) C4'-P energy: -29.170
bonds (distance) P-C4' energy: -27.675
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -34.556
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -521.519618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.519618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.696015 (E_RNA)
where:
Base-Base interactions energy: -367.223
where: short stacking energy: -151.112
Base-Backbone interact. energy: -0.055
local terms energy: -154.418240
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -28.166
tors. eta vs tors. theta energy: -38.089
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -520.924633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.924633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.907297 (E_RNA)
where:
Base-Base interactions energy: -369.459
where: short stacking energy: -148.840
Base-Backbone interact. energy: -0.872
local terms energy: -151.576160
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.571
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -40.887
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -521.823005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.823005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.856883 (E_RNA)
where:
Base-Base interactions energy: -369.606
where: short stacking energy: -155.093
Base-Backbone interact. energy: -1.427
local terms energy: -150.824329
where:
bonds (distance) C4'-P energy: -27.567
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.034 (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: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -500.071103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.071103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.503456 (E_RNA)
where:
Base-Base interactions energy: -361.971
where: short stacking energy: -148.527
Base-Backbone interact. energy: 1.525
local terms energy: -140.057204
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -40.150
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -487.054117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.420128 (E_RNA)
where:
Base-Base interactions energy: -344.076
where: short stacking energy: -129.672
Base-Backbone interact. energy: -0.523
local terms energy: -142.820983
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -23.863
flat angles C4'-P-C4' energy: -30.368
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -35.422
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -486.829439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.829439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.005118 (E_RNA)
where:
Base-Base interactions energy: -346.834
where: short stacking energy: -134.580
Base-Backbone interact. energy: -0.478
local terms energy: -139.693509
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -32.986
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -457.040447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.159342 (E_RNA)
where:
Base-Base interactions energy: -320.144
where: short stacking energy: -126.800
Base-Backbone interact. energy: -1.307
local terms energy: -135.707498
where:
bonds (distance) C4'-P energy: -27.415
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -28.653
Dist. restrs. and SS energy: 0.119 (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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -472.978215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.978215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.135180 (E_RNA)
where:
Base-Base interactions energy: -332.350
where: short stacking energy: -127.566
Base-Backbone interact. energy: 0.994
local terms energy: -141.779003
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -36.835
Dist. restrs. and SS energy: 0.157 (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: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -461.476911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.476911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.677904 (E_RNA)
where:
Base-Base interactions energy: -322.315
where: short stacking energy: -127.397
Base-Backbone interact. energy: -0.714
local terms energy: -138.648922
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -432.394813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.394813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.820650 (E_RNA)
where:
Base-Base interactions energy: -310.946
where: short stacking energy: -119.078
Base-Backbone interact. energy: -0.450
local terms energy: -121.424254
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -28.659
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -530.844089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.844089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.933709 (E_RNA)
where:
Base-Base interactions energy: -372.255
where: short stacking energy: -158.178
Base-Backbone interact. energy: -1.345
local terms energy: -157.334204
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.090 (S_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: 323
Temperature: 0.950000
Total energy: -520.180628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.180628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.288218 (E_RNA)
where:
Base-Base interactions energy: -380.130
where: short stacking energy: -152.673
Base-Backbone interact. energy: -0.022
local terms energy: -140.136081
where:
bonds (distance) C4'-P energy: -28.516
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -20.902
tors. eta vs tors. theta energy: -38.347
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -523.917065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.917065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.034720 (E_RNA)
where:
Base-Base interactions energy: -367.762
where: short stacking energy: -151.637
Base-Backbone interact. energy: -0.327
local terms energy: -155.946359
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -32.333
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -39.196
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -509.254492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.254492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.914131 (E_RNA)
where:
Base-Base interactions energy: -354.180
where: short stacking energy: -143.865
Base-Backbone interact. energy: -0.431
local terms energy: -155.302646
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -486.416554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.416554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.429545 (E_RNA)
where:
Base-Base interactions energy: -353.991
where: short stacking energy: -145.402
Base-Backbone interact. energy: -0.993
local terms energy: -131.445269
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -475.755777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.755777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.007256 (E_RNA)
where:
Base-Base interactions energy: -335.292
where: short stacking energy: -137.610
Base-Backbone interact. energy: -0.347
local terms energy: -140.368213
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -32.953
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -39.696
Dist. restrs. and SS energy: 0.251 (S_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: 323
Temperature: 1.200000
Total energy: -471.318172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.318172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.576946 (E_RNA)
where:
Base-Base interactions energy: -330.712
where: short stacking energy: -133.520
Base-Backbone interact. energy: -0.795
local terms energy: -140.069268
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -38.870
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -458.648833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.648833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.787110 (E_RNA)
where:
Base-Base interactions energy: -325.723
where: short stacking energy: -132.004
Base-Backbone interact. energy: -1.208
local terms energy: -132.856534
where:
bonds (distance) C4'-P energy: -29.963
bonds (distance) P-C4' energy: -24.278
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -35.250
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -440.448197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.448197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.544521 (E_RNA)
where:
Base-Base interactions energy: -314.401
where: short stacking energy: -121.355
Base-Backbone interact. energy: -0.120
local terms energy: -126.023481
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -25.529
Dist. restrs. and SS energy: 0.096 (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: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -417.116571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.116571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.335831 (E_RNA)
where:
Base-Base interactions energy: -291.945
where: short stacking energy: -106.348
Base-Backbone interact. energy: 0.515
local terms energy: -126.906120
where:
bonds (distance) C4'-P energy: -31.270
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -28.448
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -23.850
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -535.245571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.245571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.457106 (E_RNA)
where:
Base-Base interactions energy: -385.652
where: short stacking energy: -148.239
Base-Backbone interact. energy: 0.033
local terms energy: -149.838631
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -40.139
Dist. restrs. and SS energy: 0.212 (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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -520.678193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.678193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.019203 (E_RNA)
where:
Base-Base interactions energy: -366.775
where: short stacking energy: -150.043
Base-Backbone interact. energy: -0.644
local terms energy: -153.600944
where:
bonds (distance) C4'-P energy: -27.890
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -528.883902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.883902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.022557 (E_RNA)
where:
Base-Base interactions energy: -372.966
where: short stacking energy: -157.024
Base-Backbone interact. energy: -0.589
local terms energy: -155.467815
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -45.042
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -514.430377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.430377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.465967 (E_RNA)
where:
Base-Base interactions energy: -363.458
where: short stacking energy: -148.940
Base-Backbone interact. energy: -0.288
local terms energy: -150.720612
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -32.653
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -41.245
Dist. restrs. and SS energy: 0.036 (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: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -487.320587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.320587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.012883 (E_RNA)
where:
Base-Base interactions energy: -358.619
where: short stacking energy: -147.552
Base-Backbone interact. energy: 2.163
local terms energy: -131.557068
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -31.641
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -36.296
Dist. restrs. and SS energy: 0.692 (S_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: 324
Temperature: 1.150000
Total energy: -487.006266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.006266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.186576 (E_RNA)
where:
Base-Base interactions energy: -346.835
where: short stacking energy: -140.002
Base-Backbone interact. energy: -0.617
local terms energy: -139.734283
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -31.029
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -20.110
tors. eta vs tors. theta energy: -37.326
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -463.790144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.790144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.019974 (E_RNA)
where:
Base-Base interactions energy: -329.957
where: short stacking energy: -122.679
Base-Backbone interact. energy: -0.493
local terms energy: -133.569715
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -29.760
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -35.811
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -462.106619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.106619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.851266 (E_RNA)
where:
Base-Base interactions energy: -327.847
where: short stacking energy: -127.901
Base-Backbone interact. energy: -1.365
local terms energy: -133.639248
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -31.151
flat angles C4'-P-C4' energy: -29.357
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.745 (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: 324
Temperature: 1.300000
Total energy: -455.308493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.308493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.586860 (E_RNA)
where:
Base-Base interactions energy: -319.955
where: short stacking energy: -138.117
Base-Backbone interact. energy: -0.213
local terms energy: -135.419556
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -427.050870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.050870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.464874 (E_RNA)
where:
Base-Base interactions energy: -306.630
where: short stacking energy: -116.482
Base-Backbone interact. energy: -0.559
local terms energy: -120.275258
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -30.217
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -536.819506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.819506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.035013 (E_RNA)
where:
Base-Base interactions energy: -373.206
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.409
local terms energy: -163.420539
where:
bonds (distance) C4'-P energy: -33.533
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.216 (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: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -520.600821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.600821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.630609 (E_RNA)
where:
Base-Base interactions energy: -372.049
where: short stacking energy: -143.674
Base-Backbone interact. energy: -0.335
local terms energy: -148.246640
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -519.630870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.630870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.705355 (E_RNA)
where:
Base-Base interactions energy: -374.320
where: short stacking energy: -150.512
Base-Backbone interact. energy: -0.290
local terms energy: -145.094718
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -29.140
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -511.647728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.647728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.864399 (E_RNA)
where:
Base-Base interactions energy: -363.281
where: short stacking energy: -151.732
Base-Backbone interact. energy: -0.582
local terms energy: -148.001904
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -31.757
flat angles C4'-P-C4' energy: -31.567
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -38.061
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -497.279773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.279773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.479171 (E_RNA)
where:
Base-Base interactions energy: -349.721
where: short stacking energy: -147.314
Base-Backbone interact. energy: -0.650
local terms energy: -147.108327
where:
bonds (distance) C4'-P energy: -26.795
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -40.162
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -478.150846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.150846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.456052 (E_RNA)
where:
Base-Base interactions energy: -334.251
where: short stacking energy: -124.727
Base-Backbone interact. energy: -0.900
local terms energy: -143.305280
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -21.318
tors. eta vs tors. theta energy: -33.785
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -464.793179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.793179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.892077 (E_RNA)
where:
Base-Base interactions energy: -330.196
where: short stacking energy: -132.161
Base-Backbone interact. energy: -0.462
local terms energy: -134.233977
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -26.208
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.099 (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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -462.254041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.254041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.361406 (E_RNA)
where:
Base-Base interactions energy: -318.784
where: short stacking energy: -124.792
Base-Backbone interact. energy: -0.558
local terms energy: -143.019654
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -28.401
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -35.258
Dist. restrs. and SS energy: 0.107 (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: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -441.079730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.079730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.204010 (E_RNA)
where:
Base-Base interactions energy: -319.114
where: short stacking energy: -124.794
Base-Backbone interact. energy: -1.156
local terms energy: -120.934530
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -33.694
Dist. restrs. and SS energy: 0.124 (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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -437.043909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.043909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.550417 (E_RNA)
where:
Base-Base interactions energy: -303.997
where: short stacking energy: -114.730
Base-Backbone interact. energy: -0.554
local terms energy: -132.999327
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -28.721
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -535.952881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.952881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.181150 (E_RNA)
where:
Base-Base interactions energy: -370.595
where: short stacking energy: -158.301
Base-Backbone interact. energy: -0.342
local terms energy: -165.244019
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.228 (S_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: 326
Temperature: 0.950000
Total energy: -525.595364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.595364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.769475 (E_RNA)
where:
Base-Base interactions energy: -366.716
where: short stacking energy: -156.113
Base-Backbone interact. energy: -1.255
local terms energy: -157.798832
where:
bonds (distance) C4'-P energy: -23.964
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -36.185
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -43.739
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -523.467662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.467662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.594263 (E_RNA)
where:
Base-Base interactions energy: -363.407
where: short stacking energy: -150.173
Base-Backbone interact. energy: 1.007
local terms energy: -161.194233
where:
bonds (distance) C4'-P energy: -32.276
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -40.941
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -507.934247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.934247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.281671 (E_RNA)
where:
Base-Base interactions energy: -354.762
where: short stacking energy: -142.827
Base-Backbone interact. energy: -1.997
local terms energy: -151.523111
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -41.735
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -457.521702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.521702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.878520 (E_RNA)
where:
Base-Base interactions energy: -325.357
where: short stacking energy: -131.835
Base-Backbone interact. energy: 1.709
local terms energy: -134.231376
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -31.839
Dist. restrs. and SS energy: 0.357 (S_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: -494.437297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.437297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.715707 (E_RNA)
where:
Base-Base interactions energy: -357.712
where: short stacking energy: -139.590
Base-Backbone interact. energy: -0.483
local terms energy: -136.520868
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -36.829
Dist. restrs. and SS energy: 0.278 (S_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: 326
Temperature: 1.200000
Total energy: -478.587838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.587838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.843059 (E_RNA)
where:
Base-Base interactions energy: -337.539
where: short stacking energy: -131.812
Base-Backbone interact. energy: -0.723
local terms energy: -140.581109
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -33.169
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -36.874
Dist. restrs. and SS energy: 0.255 (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: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -460.510176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.510176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.957220 (E_RNA)
where:
Base-Base interactions energy: -336.918
where: short stacking energy: -142.195
Base-Backbone interact. energy: -1.144
local terms energy: -122.894918
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -36.235
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -439.114315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.114315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.854152 (E_RNA)
where:
Base-Base interactions energy: -321.277
where: short stacking energy: -112.703
Base-Backbone interact. energy: -0.508
local terms energy: -118.069138
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -30.555
Dist. restrs. and SS energy: 0.740 (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: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -426.399483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.399483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.558461 (E_RNA)
where:
Base-Base interactions energy: -315.520
where: short stacking energy: -116.715
Base-Backbone interact. energy: -0.660
local terms energy: -110.377987
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.159 (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: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -526.621853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.621853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.779906 (E_RNA)
where:
Base-Base interactions energy: -370.953
where: short stacking energy: -154.162
Base-Backbone interact. energy: -0.755
local terms energy: -155.071253
where:
bonds (distance) C4'-P energy: -25.214
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -46.379
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -523.803610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.803610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.058904 (E_RNA)
where:
Base-Base interactions energy: -369.080
where: short stacking energy: -162.512
Base-Backbone interact. energy: 1.473
local terms energy: -156.452066
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -46.311
Dist. restrs. and SS energy: 0.255 (S_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: 327
Temperature: 1.000000
Total energy: -517.784811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.784811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.955039 (E_RNA)
where:
Base-Base interactions energy: -367.699
where: short stacking energy: -147.679
Base-Backbone interact. energy: -0.099
local terms energy: -150.157560
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -33.995
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -44.275
Dist. restrs. and SS energy: 0.170 (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: 327
Temperature: 1.050000
Total energy: -490.415237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.415237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.711128 (E_RNA)
where:
Base-Base interactions energy: -349.442
where: short stacking energy: -140.556
Base-Backbone interact. energy: 0.206
local terms energy: -141.475087
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -34.331
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -38.868
Dist. restrs. and SS energy: 0.296 (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: 327
Temperature: 1.100000
Total energy: -476.562202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.562202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.892872 (E_RNA)
where:
Base-Base interactions energy: -342.438
where: short stacking energy: -135.619
Base-Backbone interact. energy: -0.378
local terms energy: -134.076365
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -29.293
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -480.844784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.844784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.067958 (E_RNA)
where:
Base-Base interactions energy: -345.114
where: short stacking energy: -137.079
Base-Backbone interact. energy: -0.015
local terms energy: -135.938808
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: 0.223 (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: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -475.424018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.424018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.512927 (E_RNA)
where:
Base-Base interactions energy: -336.293
where: short stacking energy: -139.174
Base-Backbone interact. energy: -1.508
local terms energy: -137.712473
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.089 (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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -466.999403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.999403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.379091 (E_RNA)
where:
Base-Base interactions energy: -322.482
where: short stacking energy: -135.126
Base-Backbone interact. energy: -0.340
local terms energy: -144.556493
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -32.636
flat angles P-C4'-P energy: -22.139
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.380 (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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -440.891738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.992130 (E_RNA)
where:
Base-Base interactions energy: -314.608
where: short stacking energy: -128.482
Base-Backbone interact. energy: 1.046
local terms energy: -127.430349
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -17.246
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -443.920930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.920930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.357023 (E_RNA)
where:
Base-Base interactions energy: -309.648
where: short stacking energy: -126.606
Base-Backbone interact. energy: 3.320
local terms energy: -138.029506
where:
bonds (distance) C4'-P energy: -26.424
bonds (distance) P-C4' energy: -28.424
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -31.366
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -539.766076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.766076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.890869 (E_RNA)
where:
Base-Base interactions energy: -373.921
where: short stacking energy: -146.224
Base-Backbone interact. energy: -0.315
local terms energy: -165.654796
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -32.088
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -44.704
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -528.607392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.607392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.649518 (E_RNA)
where:
Base-Base interactions energy: -371.060
where: short stacking energy: -156.601
Base-Backbone interact. energy: -0.897
local terms energy: -156.692664
where:
bonds (distance) C4'-P energy: -26.103
bonds (distance) P-C4' energy: -31.619
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -23.777
tors. eta vs tors. theta energy: -40.939
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -526.567625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.567625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.657246 (E_RNA)
where:
Base-Base interactions energy: -373.159
where: short stacking energy: -152.113
Base-Backbone interact. energy: -0.389
local terms energy: -153.109932
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -27.222
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -42.250
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -502.401224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.401224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.437716 (E_RNA)
where:
Base-Base interactions energy: -354.214
where: short stacking energy: -137.801
Base-Backbone interact. energy: -0.042
local terms energy: -148.181723
where:
bonds (distance) C4'-P energy: -33.615
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -23.068
tors. eta vs tors. theta energy: -32.765
Dist. restrs. and SS energy: 0.036 (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: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -477.569503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.569503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.998063 (E_RNA)
where:
Base-Base interactions energy: -344.740
where: short stacking energy: -142.915
Base-Backbone interact. energy: 0.143
local terms energy: -133.401278
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -37.239
Dist. restrs. and SS energy: 0.429 (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: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -468.667521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.667521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.196074 (E_RNA)
where:
Base-Base interactions energy: -332.282
where: short stacking energy: -123.700
Base-Backbone interact. energy: 0.129
local terms energy: -137.042819
where:
bonds (distance) C4'-P energy: -28.162
bonds (distance) P-C4' energy: -29.098
flat angles C4'-P-C4' energy: -25.320
flat angles P-C4'-P energy: -19.677
tors. eta vs tors. theta energy: -34.787
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: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -487.596257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.596257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.800554 (E_RNA)
where:
Base-Base interactions energy: -335.371
where: short stacking energy: -136.834
Base-Backbone interact. energy: -0.385
local terms energy: -152.045013
where:
bonds (distance) C4'-P energy: -30.069
bonds (distance) P-C4' energy: -31.934
flat angles C4'-P-C4' energy: -29.513
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.204 (S_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: 328
Temperature: 1.250000
Total energy: -444.756692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.998050 (E_RNA)
where:
Base-Base interactions energy: -319.177
where: short stacking energy: -129.851
Base-Backbone interact. energy: -0.376
local terms energy: -125.445431
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -33.902
Dist. restrs. and SS energy: 0.241 (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: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -448.812606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.812606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.297583 (E_RNA)
where:
Base-Base interactions energy: -312.468
where: short stacking energy: -127.367
Base-Backbone interact. energy: -0.856
local terms energy: -135.973778
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -31.995
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: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -415.944301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.944301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.728567 (E_RNA)
where:
Base-Base interactions energy: -300.214
where: short stacking energy: -114.536
Base-Backbone interact. energy: -0.416
local terms energy: -116.098606
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -27.447
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -531.158734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.158734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.243478 (E_RNA)
where:
Base-Base interactions energy: -381.482
where: short stacking energy: -155.947
Base-Backbone interact. energy: -0.648
local terms energy: -149.113216
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -42.068
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -531.355257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.355257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.473000 (E_RNA)
where:
Base-Base interactions energy: -370.714
where: short stacking energy: -154.255
Base-Backbone interact. energy: -0.850
local terms energy: -159.908758
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -31.738
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -42.958
Dist. restrs. and SS energy: 0.118 (S_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: 329
Temperature: 1.000000
Total energy: -511.754343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.754343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.089334 (E_RNA)
where:
Base-Base interactions energy: -367.784
where: short stacking energy: -151.550
Base-Backbone interact. energy: -0.300
local terms energy: -144.005640
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -37.804
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -498.449272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.449272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.586165 (E_RNA)
where:
Base-Base interactions energy: -362.156
where: short stacking energy: -141.628
Base-Backbone interact. energy: -1.139
local terms energy: -135.290944
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -32.341
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -35.712
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -493.343212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.343212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.671604 (E_RNA)
where:
Base-Base interactions energy: -346.246
where: short stacking energy: -149.442
Base-Backbone interact. energy: 0.180
local terms energy: -147.605892
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -39.732
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -497.571504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.571504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.702124 (E_RNA)
where:
Base-Base interactions energy: -350.004
where: short stacking energy: -141.868
Base-Backbone interact. energy: 0.372
local terms energy: -148.069930
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -36.538
Dist. restrs. and SS energy: 0.131 (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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -467.464383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.464383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.925995 (E_RNA)
where:
Base-Base interactions energy: -322.084
where: short stacking energy: -131.794
Base-Backbone interact. energy: 1.673
local terms energy: -147.515086
where:
bonds (distance) C4'-P energy: -23.374
bonds (distance) P-C4' energy: -34.107
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -457.846569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.846569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.129438 (E_RNA)
where:
Base-Base interactions energy: -326.764
where: short stacking energy: -129.020
Base-Backbone interact. energy: -0.311
local terms energy: -131.054269
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -35.165
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -427.242866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.242866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.864780 (E_RNA)
where:
Base-Base interactions energy: -308.587
where: short stacking energy: -117.349
Base-Backbone interact. energy: -0.585
local terms energy: -118.692297
where:
bonds (distance) C4'-P energy: -25.160
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.622 (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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -417.932844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.932844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.019614 (E_RNA)
where:
Base-Base interactions energy: -303.137
where: short stacking energy: -108.144
Base-Backbone interact. energy: -0.317
local terms energy: -114.565587
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -25.219
Dist. restrs. and SS energy: 0.087 (S_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: 330
Temperature: 0.900000
Total energy: -531.888408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.888408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.970411 (E_RNA)
where:
Base-Base interactions energy: -375.475
where: short stacking energy: -154.279
Base-Backbone interact. energy: -0.196
local terms energy: -156.299045
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -32.127
flat angles C4'-P-C4' energy: -31.212
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: -40.753
Dist. restrs. and SS energy: 0.082 (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: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -539.116388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.116388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.197220 (E_RNA)
where:
Base-Base interactions energy: -381.955
where: short stacking energy: -148.309
Base-Backbone interact. energy: -0.359
local terms energy: -156.883391
where:
bonds (distance) C4'-P energy: -30.332
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -40.886
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -519.300559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.300559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.442688 (E_RNA)
where:
Base-Base interactions energy: -379.661
where: short stacking energy: -146.749
Base-Backbone interact. energy: -0.462
local terms energy: -139.319804
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -37.025
Dist. restrs. and SS energy: 0.142 (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: 330
Temperature: 1.050000
Total energy: -502.363427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.363427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.494196 (E_RNA)
where:
Base-Base interactions energy: -354.965
where: short stacking energy: -144.998
Base-Backbone interact. energy: -0.970
local terms energy: -146.559475
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -32.646
flat angles C4'-P-C4' energy: -29.810
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -36.795
Dist. restrs. and SS energy: 0.131 (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: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -486.933381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.933381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.442744 (E_RNA)
where:
Base-Base interactions energy: -337.147
where: short stacking energy: -134.050
Base-Backbone interact. energy: -0.467
local terms energy: -149.829086
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -31.078
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -36.745
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -471.165545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.165545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.323263 (E_RNA)
where:
Base-Base interactions energy: -336.845
where: short stacking energy: -135.500
Base-Backbone interact. energy: -0.987
local terms energy: -133.491457
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -460.314596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.314596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.780418 (E_RNA)
where:
Base-Base interactions energy: -334.223
where: short stacking energy: -125.260
Base-Backbone interact. energy: -0.902
local terms energy: -125.656187
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -32.687
Dist. restrs. and SS energy: 0.466 (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: 330
Temperature: 1.250000
Total energy: -459.732709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.732709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.028132 (E_RNA)
where:
Base-Base interactions energy: -329.291
where: short stacking energy: -132.345
Base-Backbone interact. energy: -0.536
local terms energy: -130.201374
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -455.651516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.651516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.972150 (E_RNA)
where:
Base-Base interactions energy: -334.947
where: short stacking energy: -129.998
Base-Backbone interact. energy: -0.696
local terms energy: -120.328782
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -37.752
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -434.449539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.449539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.504069 (E_RNA)
where:
Base-Base interactions energy: -322.489
where: short stacking energy: -122.079
Base-Backbone interact. energy: 0.628
local terms energy: -112.642578
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.055 (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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -539.215638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.215638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.393344 (E_RNA)
where:
Base-Base interactions energy: -377.062
where: short stacking energy: -155.541
Base-Backbone interact. energy: 0.811
local terms energy: -163.142099
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.178 (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: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -530.904158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.904158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.938316 (E_RNA)
where:
Base-Base interactions energy: -373.499
where: short stacking energy: -154.144
Base-Backbone interact. energy: -1.467
local terms energy: -155.972607
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -31.921
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -43.845
Dist. restrs. and SS energy: 0.034 (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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -521.641151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.641151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.701143 (E_RNA)
where:
Base-Base interactions energy: -369.196
where: short stacking energy: -142.882
Base-Backbone interact. energy: -0.426
local terms energy: -152.079365
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.060 (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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -483.244446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.244446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.526759 (E_RNA)
where:
Base-Base interactions energy: -336.351
where: short stacking energy: -138.854
Base-Backbone interact. energy: -0.616
local terms energy: -146.559870
where:
bonds (distance) C4'-P energy: -28.610
bonds (distance) P-C4' energy: -29.761
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -33.432
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -473.102185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.102185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.707334 (E_RNA)
where:
Base-Base interactions energy: -332.992
where: short stacking energy: -132.690
Base-Backbone interact. energy: 0.530
local terms energy: -141.244860
where:
bonds (distance) C4'-P energy: -24.062
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -33.031
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -476.942358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.942358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.158917 (E_RNA)
where:
Base-Base interactions energy: -341.120
where: short stacking energy: -135.472
Base-Backbone interact. energy: -0.717
local terms energy: -136.321463
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -31.419
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -34.314
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: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -467.722387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.722387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.941993 (E_RNA)
where:
Base-Base interactions energy: -330.819
where: short stacking energy: -130.676
Base-Backbone interact. energy: -0.968
local terms energy: -136.155468
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -29.109
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -37.606
Dist. restrs. and SS energy: 0.220 (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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -467.233156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.233156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.331574 (E_RNA)
where:
Base-Base interactions energy: -333.990
where: short stacking energy: -125.741
Base-Backbone interact. energy: -0.408
local terms energy: -132.934271
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -23.716
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -31.374
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -445.318354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.318354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.913233 (E_RNA)
where:
Base-Base interactions energy: -319.394
where: short stacking energy: -124.702
Base-Backbone interact. energy: 0.201
local terms energy: -126.720344
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -36.466
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -438.663892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.663892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.772516 (E_RNA)
where:
Base-Base interactions energy: -305.016
where: short stacking energy: -119.254
Base-Backbone interact. energy: 1.742
local terms energy: -135.498087
where:
bonds (distance) C4'-P energy: -25.774
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -21.505
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.109 (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: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -536.295358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.295358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.642258 (E_RNA)
where:
Base-Base interactions energy: -379.503
where: short stacking energy: -160.222
Base-Backbone interact. energy: -0.624
local terms energy: -156.515488
where:
bonds (distance) C4'-P energy: -31.767
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -32.518
flat angles P-C4'-P energy: -22.536
tors. eta vs tors. theta energy: -42.074
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -538.279742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.279742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.606828 (E_RNA)
where:
Base-Base interactions energy: -380.153
where: short stacking energy: -161.178
Base-Backbone interact. energy: -0.550
local terms energy: -157.903649
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -44.329
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -513.499136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.499136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.564016 (E_RNA)
where:
Base-Base interactions energy: -358.739
where: short stacking energy: -144.907
Base-Backbone interact. energy: -0.731
local terms energy: -154.094496
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -33.911
flat angles P-C4'-P energy: -24.991
tors. eta vs tors. theta energy: -39.835
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -489.930701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.930701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.204062 (E_RNA)
where:
Base-Base interactions energy: -350.020
where: short stacking energy: -144.998
Base-Backbone interact. energy: -0.552
local terms energy: -139.631169
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -33.152
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.273 (S_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: 332
Temperature: 1.100000
Total energy: -495.916507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.916507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.254133 (E_RNA)
where:
Base-Base interactions energy: -360.861
where: short stacking energy: -150.995
Base-Backbone interact. energy: -0.413
local terms energy: -134.979868
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -38.730
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -487.427137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.427137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.539200 (E_RNA)
where:
Base-Base interactions energy: -345.796
where: short stacking energy: -134.517
Base-Backbone interact. energy: -1.390
local terms energy: -140.353006
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -36.218
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -468.018197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.018197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.353456 (E_RNA)
where:
Base-Base interactions energy: -330.789
where: short stacking energy: -138.579
Base-Backbone interact. energy: -1.464
local terms energy: -136.101032
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -34.026
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -445.509905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.965862 (E_RNA)
where:
Base-Base interactions energy: -325.720
where: short stacking energy: -123.647
Base-Backbone interact. energy: -0.555
local terms energy: -119.690833
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -35.722
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -455.527825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.527825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.697807 (E_RNA)
where:
Base-Base interactions energy: -320.804
where: short stacking energy: -120.211
Base-Backbone interact. energy: -0.342
local terms energy: -134.552475
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -29.012
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -34.707
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -442.032501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.032501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.330960 (E_RNA)
where:
Base-Base interactions energy: -305.146
where: short stacking energy: -118.468
Base-Backbone interact. energy: -0.226
local terms energy: -136.959112
where:
bonds (distance) C4'-P energy: -27.593
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -28.451
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -536.887475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.887475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.193810 (E_RNA)
where:
Base-Base interactions energy: -381.375
where: short stacking energy: -148.974
Base-Backbone interact. energy: -0.508
local terms energy: -155.310002
where:
bonds (distance) C4'-P energy: -31.136
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -36.529
Dist. restrs. and SS energy: 0.306 (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: 333
Temperature: 0.950000
Total energy: -529.535733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.535733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.744120 (E_RNA)
where:
Base-Base interactions energy: -380.566
where: short stacking energy: -152.798
Base-Backbone interact. energy: 1.526
local terms energy: -150.704517
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -37.177
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -505.176843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.176843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.495433 (E_RNA)
where:
Base-Base interactions energy: -363.527
where: short stacking energy: -137.051
Base-Backbone interact. energy: 1.099
local terms energy: -143.066974
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -35.546
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -36.067
Dist. restrs. and SS energy: 0.319 (S_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: 333
Temperature: 1.050000
Total energy: -505.962695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.962695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.211289 (E_RNA)
where:
Base-Base interactions energy: -358.073
where: short stacking energy: -150.178
Base-Backbone interact. energy: -0.544
local terms energy: -147.594595
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -40.854
Dist. restrs. and SS energy: 0.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -502.932004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.932004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.964371 (E_RNA)
where:
Base-Base interactions energy: -360.514
where: short stacking energy: -139.291
Base-Backbone interact. energy: 0.675
local terms energy: -143.124758
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -26.910
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -37.959
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -478.132157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.132157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.553916 (E_RNA)
where:
Base-Base interactions energy: -342.925
where: short stacking energy: -129.467
Base-Backbone interact. energy: -0.235
local terms energy: -135.394756
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -35.732
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -30.721
Dist. restrs. and SS energy: 0.422 (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: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -462.094352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.094352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.328888 (E_RNA)
where:
Base-Base interactions energy: -330.141
where: short stacking energy: -124.207
Base-Backbone interact. energy: 4.780
local terms energy: -136.967260
where:
bonds (distance) C4'-P energy: -26.630
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -449.947014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.947014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.278859 (E_RNA)
where:
Base-Base interactions energy: -320.106
where: short stacking energy: -129.388
Base-Backbone interact. energy: -0.635
local terms energy: -129.537752
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -22.833
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -17.981
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -461.237594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.237594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.654782 (E_RNA)
where:
Base-Base interactions energy: -325.347
where: short stacking energy: -131.754
Base-Backbone interact. energy: 0.259
local terms energy: -136.566777
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -28.823
flat angles C4'-P-C4' energy: -32.671
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -35.105
Dist. restrs. and SS energy: 0.417 (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: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -434.484235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.484235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.617294 (E_RNA)
where:
Base-Base interactions energy: -315.173
where: short stacking energy: -120.527
Base-Backbone interact. energy: -0.352
local terms energy: -119.092392
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -529.939940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.939940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.017421 (E_RNA)
where:
Base-Base interactions energy: -375.485
where: short stacking energy: -157.412
Base-Backbone interact. energy: -0.939
local terms energy: -153.593861
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -36.440
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -518.062240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.062240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.549553 (E_RNA)
where:
Base-Base interactions energy: -359.017
where: short stacking energy: -148.253
Base-Backbone interact. energy: -0.721
local terms energy: -158.811251
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -34.068
flat angles C4'-P-C4' energy: -32.689
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -38.357
Dist. restrs. and SS energy: 0.487 (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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -514.860460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.860460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.268990 (E_RNA)
where:
Base-Base interactions energy: -368.100
where: short stacking energy: -153.688
Base-Backbone interact. energy: -0.228
local terms energy: -146.940522
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -28.627
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -38.848
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: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -499.820202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.820202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.093898 (E_RNA)
where:
Base-Base interactions energy: -355.260
where: short stacking energy: -141.198
Base-Backbone interact. energy: 0.038
local terms energy: -144.871965
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -35.483
Dist. restrs. and SS energy: 0.274 (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: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -486.426527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.426527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.555388 (E_RNA)
where:
Base-Base interactions energy: -343.425
where: short stacking energy: -148.581
Base-Backbone interact. energy: 0.681
local terms energy: -143.811549
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -35.835
Dist. restrs. and SS energy: 0.129 (S_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: 334
Temperature: 1.150000
Total energy: -481.336489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.336489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.651954 (E_RNA)
where:
Base-Base interactions energy: -340.380
where: short stacking energy: -134.234
Base-Backbone interact. energy: -0.029
local terms energy: -141.243537
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -38.382
Dist. restrs. and SS energy: 0.315 (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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -466.326864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.326864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.585241 (E_RNA)
where:
Base-Base interactions energy: -334.808
where: short stacking energy: -129.873
Base-Backbone interact. energy: -0.344
local terms energy: -131.433746
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -32.484
Dist. restrs. and SS energy: 0.258 (S_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: 334
Temperature: 1.250000
Total energy: -451.712582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.712582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.157073 (E_RNA)
where:
Base-Base interactions energy: -315.103
where: short stacking energy: -119.435
Base-Backbone interact. energy: -0.776
local terms energy: -136.278280
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -32.280
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -426.723341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.723341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.475181 (E_RNA)
where:
Base-Base interactions energy: -311.522
where: short stacking energy: -116.854
Base-Backbone interact. energy: 1.322
local terms energy: -117.275006
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -442.980137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.980137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.148210 (E_RNA)
where:
Base-Base interactions energy: -315.850
where: short stacking energy: -129.133
Base-Backbone interact. energy: -0.689
local terms energy: -126.609139
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -34.217
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -516.894358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.894358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.103535 (E_RNA)
where:
Base-Base interactions energy: -361.665
where: short stacking energy: -149.415
Base-Backbone interact. energy: -0.689
local terms energy: -154.749815
where:
bonds (distance) C4'-P energy: -29.059
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.209 (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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -508.179211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.179211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.197014 (E_RNA)
where:
Base-Base interactions energy: -359.256
where: short stacking energy: -141.507
Base-Backbone interact. energy: -1.161
local terms energy: -147.779609
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -30.198
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -36.045
Dist. restrs. and SS energy: 0.018 (S_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: 335
Temperature: 1.000000
Total energy: -515.874027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.874027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.397042 (E_RNA)
where:
Base-Base interactions energy: -371.243
where: short stacking energy: -152.018
Base-Backbone interact. energy: -0.265
local terms energy: -144.889507
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -23.873
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.523 (S_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: 335
Temperature: 1.050000
Total energy: -490.602826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.602826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.860493 (E_RNA)
where:
Base-Base interactions energy: -346.090
where: short stacking energy: -143.527
Base-Backbone interact. energy: -0.184
local terms energy: -144.586081
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -497.261709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.261709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.444251 (E_RNA)
where:
Base-Base interactions energy: -359.577
where: short stacking energy: -138.563
Base-Backbone interact. energy: -0.614
local terms energy: -137.253960
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -29.930
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -480.963828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.963828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.193197 (E_RNA)
where:
Base-Base interactions energy: -341.323
where: short stacking energy: -136.370
Base-Backbone interact. energy: -0.352
local terms energy: -139.517977
where:
bonds (distance) C4'-P energy: -29.532
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.229 (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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -468.143483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.143483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.776511 (E_RNA)
where:
Base-Base interactions energy: -333.787
where: short stacking energy: -142.888
Base-Backbone interact. energy: 0.470
local terms energy: -135.460281
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -36.455
Dist. restrs. and SS energy: 0.633 (S_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: 335
Temperature: 1.250000
Total energy: -446.544626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.544626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.233068 (E_RNA)
where:
Base-Base interactions energy: -320.924
where: short stacking energy: -126.447
Base-Backbone interact. energy: 1.867
local terms energy: -128.176025
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -454.779672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.779672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.101011 (E_RNA)
where:
Base-Base interactions energy: -338.154
where: short stacking energy: -128.865
Base-Backbone interact. energy: -0.744
local terms energy: -116.203349
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -26.736
Dist. restrs. and SS energy: 0.321 (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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -438.297671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.297671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.142696 (E_RNA)
where:
Base-Base interactions energy: -320.132
where: short stacking energy: -114.956
Base-Backbone interact. energy: 0.940
local terms energy: -119.950604
where:
bonds (distance) C4'-P energy: -23.567
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -520.135648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.135648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.203266 (E_RNA)
where:
Base-Base interactions energy: -368.681
where: short stacking energy: -149.294
Base-Backbone interact. energy: -0.998
local terms energy: -150.524674
where:
bonds (distance) C4'-P energy: -29.808
bonds (distance) P-C4' energy: -30.330
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -39.147
Dist. restrs. and SS energy: 0.068 (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: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -515.933499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.933499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.308663 (E_RNA)
where:
Base-Base interactions energy: -358.504
where: short stacking energy: -143.012
Base-Backbone interact. energy: -0.554
local terms energy: -157.250783
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -40.881
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -503.189967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.189967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.490554 (E_RNA)
where:
Base-Base interactions energy: -354.207
where: short stacking energy: -144.260
Base-Backbone interact. energy: -1.883
local terms energy: -147.400917
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -39.896
Dist. restrs. and SS energy: 0.301 (S_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: 336
Temperature: 1.050000
Total energy: -499.829566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.829566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.581145 (E_RNA)
where:
Base-Base interactions energy: -355.049
where: short stacking energy: -145.878
Base-Backbone interact. energy: -0.521
local terms energy: -145.010904
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -36.154
Dist. restrs. and SS energy: 0.752 (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: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -484.525888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.525888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.757930 (E_RNA)
where:
Base-Base interactions energy: -348.634
where: short stacking energy: -136.348
Base-Backbone interact. energy: 0.447
local terms energy: -136.570260
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -30.938
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -467.059469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.059469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.151823 (E_RNA)
where:
Base-Base interactions energy: -331.847
where: short stacking energy: -124.813
Base-Backbone interact. energy: -0.702
local terms energy: -134.602540
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -28.037
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -28.631
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -471.333583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.333583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.573644 (E_RNA)
where:
Base-Base interactions energy: -333.336
where: short stacking energy: -139.892
Base-Backbone interact. energy: -0.333
local terms energy: -137.905116
where:
bonds (distance) C4'-P energy: -27.336
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -19.904
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -466.920770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.335068 (E_RNA)
where:
Base-Base interactions energy: -325.045
where: short stacking energy: -127.015
Base-Backbone interact. energy: -1.531
local terms energy: -140.758643
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -29.892
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -463.052344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.052344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.458766 (E_RNA)
where:
Base-Base interactions energy: -327.710
where: short stacking energy: -127.878
Base-Backbone interact. energy: -0.355
local terms energy: -135.393631
where:
bonds (distance) C4'-P energy: -27.123
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -34.093
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -432.417021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.417021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.541183 (E_RNA)
where:
Base-Base interactions energy: -321.858
where: short stacking energy: -126.996
Base-Backbone interact. energy: -0.511
local terms energy: -110.171472
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -518.904708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.904708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.098292 (E_RNA)
where:
Base-Base interactions energy: -366.371
where: short stacking energy: -147.678
Base-Backbone interact. energy: -0.422
local terms energy: -152.305387
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.194 (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: 337
Temperature: 0.950000
Total energy: -521.670113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.670113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.777218 (E_RNA)
where:
Base-Base interactions energy: -361.747
where: short stacking energy: -150.307
Base-Backbone interact. energy: -0.406
local terms energy: -159.624395
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -33.031
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -42.235
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -504.422343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.422343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.978065 (E_RNA)
where:
Base-Base interactions energy: -353.003
where: short stacking energy: -143.626
Base-Backbone interact. energy: -0.774
local terms energy: -151.201195
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -34.130
Dist. restrs. and SS energy: 0.556 (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: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -490.259414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.259414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.654909 (E_RNA)
where:
Base-Base interactions energy: -344.632
where: short stacking energy: -134.311
Base-Backbone interact. energy: -0.646
local terms energy: -145.377269
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -35.500
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -28.043
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: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -500.201229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.201229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.562856 (E_RNA)
where:
Base-Base interactions energy: -342.600
where: short stacking energy: -141.788
Base-Backbone interact. energy: -1.553
local terms energy: -156.409865
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -34.773
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -474.108841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.108841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.488584 (E_RNA)
where:
Base-Base interactions energy: -337.678
where: short stacking energy: -128.697
Base-Backbone interact. energy: -1.495
local terms energy: -135.315687
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -28.769
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -462.029741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.029741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.305502 (E_RNA)
where:
Base-Base interactions energy: -328.562
where: short stacking energy: -133.939
Base-Backbone interact. energy: -0.863
local terms energy: -132.879932
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -35.602
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -454.271343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.271343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.329189 (E_RNA)
where:
Base-Base interactions energy: -324.458
where: short stacking energy: -128.117
Base-Backbone interact. energy: -0.107
local terms energy: -129.763709
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.058 (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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -445.245745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.245745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.360100 (E_RNA)
where:
Base-Base interactions energy: -306.336
where: short stacking energy: -117.970
Base-Backbone interact. energy: -1.367
local terms energy: -137.657329
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -33.590
Dist. restrs. and SS energy: 0.114 (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: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -442.815308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.815308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.040494 (E_RNA)
where:
Base-Base interactions energy: -324.028
where: short stacking energy: -123.433
Base-Backbone interact. energy: -0.384
local terms energy: -118.629133
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.225 (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: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -524.974119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.974119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.044048 (E_RNA)
where:
Base-Base interactions energy: -375.557
where: short stacking energy: -149.908
Base-Backbone interact. energy: -0.527
local terms energy: -148.960514
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -32.445
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -33.508
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -517.107153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.107153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.214143 (E_RNA)
where:
Base-Base interactions energy: -366.177
where: short stacking energy: -149.759
Base-Backbone interact. energy: -1.262
local terms energy: -149.775389
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -41.051
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -503.580389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.580389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.922490 (E_RNA)
where:
Base-Base interactions energy: -356.092
where: short stacking energy: -141.177
Base-Backbone interact. energy: -0.589
local terms energy: -147.240884
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -31.610
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -505.679532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.679532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.806409 (E_RNA)
where:
Base-Base interactions energy: -354.957
where: short stacking energy: -146.493
Base-Backbone interact. energy: -0.116
local terms energy: -150.733178
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -28.975
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -37.451
Dist. restrs. and SS energy: 0.127 (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: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -486.208508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.208508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.347291 (E_RNA)
where:
Base-Base interactions energy: -357.080
where: short stacking energy: -137.464
Base-Backbone interact. energy: 0.153
local terms energy: -129.420149
where:
bonds (distance) C4'-P energy: -27.185
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -30.595
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -477.090496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.090496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.351301 (E_RNA)
where:
Base-Base interactions energy: -331.121
where: short stacking energy: -138.205
Base-Backbone interact. energy: 2.425
local terms energy: -148.655965
where:
bonds (distance) C4'-P energy: -28.413
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -41.075
Dist. restrs. and SS energy: 0.261 (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: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -454.309024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.309024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.469538 (E_RNA)
where:
Base-Base interactions energy: -319.496
where: short stacking energy: -122.304
Base-Backbone interact. energy: -0.631
local terms energy: -134.342796
where:
bonds (distance) C4'-P energy: -23.096
bonds (distance) P-C4' energy: -28.028
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -33.286
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -472.033042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.033042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.140014 (E_RNA)
where:
Base-Base interactions energy: -337.879
where: short stacking energy: -129.795
Base-Backbone interact. energy: 0.297
local terms energy: -134.558170
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -29.197
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -33.137
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -435.932501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.932501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.216189 (E_RNA)
where:
Base-Base interactions energy: -320.261
where: short stacking energy: -125.985
Base-Backbone interact. energy: 0.538
local terms energy: -116.494076
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -32.570
Dist. restrs. and SS energy: 0.284 (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: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -440.375662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.375662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.556979 (E_RNA)
where:
Base-Base interactions energy: -320.557
where: short stacking energy: -132.045
Base-Backbone interact. energy: 2.054
local terms energy: -122.053564
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -25.912
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -34.203
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -528.812748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.812748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.086615 (E_RNA)
where:
Base-Base interactions energy: -376.143
where: short stacking energy: -146.959
Base-Backbone interact. energy: -1.026
local terms energy: -151.917021
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -18.494
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -525.847842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.847842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.262642 (E_RNA)
where:
Base-Base interactions energy: -374.608
where: short stacking energy: -156.024
Base-Backbone interact. energy: -0.813
local terms energy: -150.840885
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -524.230916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.230916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.323531 (E_RNA)
where:
Base-Base interactions energy: -369.332
where: short stacking energy: -156.358
Base-Backbone interact. energy: -0.672
local terms energy: -154.319571
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -28.968
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -39.387
Dist. restrs. and SS energy: 0.093 (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: 339
Temperature: 1.050000
Total energy: -524.126800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.126800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.627103 (E_RNA)
where:
Base-Base interactions energy: -370.981
where: short stacking energy: -152.835
Base-Backbone interact. energy: -1.610
local terms energy: -152.035890
where:
bonds (distance) C4'-P energy: -28.372
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -27.979
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -480.789655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.789655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.842993 (E_RNA)
where:
Base-Base interactions energy: -350.250
where: short stacking energy: -137.991
Base-Backbone interact. energy: -0.351
local terms energy: -130.242648
where:
bonds (distance) C4'-P energy: -21.239
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -35.320
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -454.937902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.937902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.600724 (E_RNA)
where:
Base-Base interactions energy: -324.489
where: short stacking energy: -135.623
Base-Backbone interact. energy: -0.196
local terms energy: -130.916126
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -27.586
flat angles C4'-P-C4' energy: -26.835
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -29.848
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: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -456.217598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.217598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.499053 (E_RNA)
where:
Base-Base interactions energy: -327.463
where: short stacking energy: -121.928
Base-Backbone interact. energy: -0.286
local terms energy: -128.749998
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -32.751
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -27.462
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -461.280831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.280831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.420559 (E_RNA)
where:
Base-Base interactions energy: -323.749
where: short stacking energy: -130.594
Base-Backbone interact. energy: -0.263
local terms energy: -137.408575
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -38.484
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -434.639678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.639678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.972880 (E_RNA)
where:
Base-Base interactions energy: -316.418
where: short stacking energy: -123.734
Base-Backbone interact. energy: -0.448
local terms energy: -118.107639
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -26.836
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.333 (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: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -439.658986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.658986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.074583 (E_RNA)
where:
Base-Base interactions energy: -318.789
where: short stacking energy: -116.268
Base-Backbone interact. energy: -0.376
local terms energy: -120.909287
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -28.277
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.416 (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: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -528.435057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.435057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.752813 (E_RNA)
where:
Base-Base interactions energy: -366.019
where: short stacking energy: -154.740
Base-Backbone interact. energy: -0.974
local terms energy: -161.759411
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -45.410
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -523.372048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.372048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.603868 (E_RNA)
where:
Base-Base interactions energy: -373.815
where: short stacking energy: -154.992
Base-Backbone interact. energy: 0.536
local terms energy: -150.325619
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -531.962094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.962094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.224638 (E_RNA)
where:
Base-Base interactions energy: -374.457
where: short stacking energy: -155.982
Base-Backbone interact. energy: 0.171
local terms energy: -157.939157
where:
bonds (distance) C4'-P energy: -25.057
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -506.232454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.232454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.328907 (E_RNA)
where:
Base-Base interactions energy: -356.497
where: short stacking energy: -143.975
Base-Backbone interact. energy: -0.487
local terms energy: -149.343989
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -42.418
Dist. restrs. and SS energy: 0.096 (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: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -479.718755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.104872 (E_RNA)
where:
Base-Base interactions energy: -345.071
where: short stacking energy: -140.182
Base-Backbone interact. energy: -0.493
local terms energy: -134.540424
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -38.372
Dist. restrs. and SS energy: 0.386 (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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -475.282433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.282433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.512396 (E_RNA)
where:
Base-Base interactions energy: -338.224
where: short stacking energy: -133.058
Base-Backbone interact. energy: 0.809
local terms energy: -138.097118
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -31.358
flat angles C4'-P-C4' energy: -34.133
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -32.520
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -459.094829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.094829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.202267 (E_RNA)
where:
Base-Base interactions energy: -329.657
where: short stacking energy: -128.690
Base-Backbone interact. energy: -0.663
local terms energy: -128.882971
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -27.230
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -34.494
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -458.702161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.702161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.839162 (E_RNA)
where:
Base-Base interactions energy: -329.171
where: short stacking energy: -128.306
Base-Backbone interact. energy: 0.556
local terms energy: -130.223808
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -33.077
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -455.464651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.426044 (E_RNA)
where:
Base-Base interactions energy: -323.798
where: short stacking energy: -123.985
Base-Backbone interact. energy: -0.816
local terms energy: -131.811555
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -35.668
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -421.447602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.447602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.781635 (E_RNA)
where:
Base-Base interactions energy: -312.132
where: short stacking energy: -116.053
Base-Backbone interact. energy: 1.569
local terms energy: -111.218878
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -22.524
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.334 (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: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -542.088027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.088027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.141344 (E_RNA)
where:
Base-Base interactions energy: -375.773
where: short stacking energy: -157.887
Base-Backbone interact. energy: -0.450
local terms energy: -165.918045
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -36.907
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -42.434
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -533.361621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.361621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.396895 (E_RNA)
where:
Base-Base interactions energy: -379.265
where: short stacking energy: -154.299
Base-Backbone interact. energy: -0.410
local terms energy: -153.721883
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -33.895
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -42.770
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -522.641257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.641257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.724669 (E_RNA)
where:
Base-Base interactions energy: -367.372
where: short stacking energy: -155.027
Base-Backbone interact. energy: -0.933
local terms energy: -154.419875
where:
bonds (distance) C4'-P energy: -25.883
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -25.334
tors. eta vs tors. theta energy: -38.872
Dist. restrs. and SS energy: 0.083 (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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -535.253128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.253128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.435892 (E_RNA)
where:
Base-Base interactions energy: -375.375
where: short stacking energy: -156.640
Base-Backbone interact. energy: -1.958
local terms energy: -158.102840
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -493.862904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.862904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.583777 (E_RNA)
where:
Base-Base interactions energy: -343.261
where: short stacking energy: -142.740
Base-Backbone interact. energy: -0.610
local terms energy: -150.713635
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -39.097
Dist. restrs. and SS energy: 0.721 (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: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -456.111288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.111288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.438503 (E_RNA)
where:
Base-Base interactions energy: -326.667
where: short stacking energy: -130.729
Base-Backbone interact. energy: -0.603
local terms energy: -129.169464
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -35.170
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -504.102109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.102109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.348197 (E_RNA)
where:
Base-Base interactions energy: -362.443
where: short stacking energy: -136.668
Base-Backbone interact. energy: -0.326
local terms energy: -141.579142
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -27.063
flat angles C4'-P-C4' energy: -29.489
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -38.377
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -454.780375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.780375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.917546 (E_RNA)
where:
Base-Base interactions energy: -326.650
where: short stacking energy: -117.894
Base-Backbone interact. energy: -0.137
local terms energy: -128.130107
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -443.461309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.461309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.735234 (E_RNA)
where:
Base-Base interactions energy: -313.994
where: short stacking energy: -116.146
Base-Backbone interact. energy: -0.723
local terms energy: -129.018385
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.274 (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: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -439.154084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.154084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.312501 (E_RNA)
where:
Base-Base interactions energy: -304.186
where: short stacking energy: -122.107
Base-Backbone interact. energy: -0.268
local terms energy: -135.858819
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -30.305
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -38.218
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -538.792330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.792330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.908293 (E_RNA)
where:
Base-Base interactions energy: -374.634
where: short stacking energy: -155.917
Base-Backbone interact. energy: -0.408
local terms energy: -163.866363
where:
bonds (distance) C4'-P energy: -33.065
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -40.154
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -522.850642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.850642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.101037 (E_RNA)
where:
Base-Base interactions energy: -375.800
where: short stacking energy: -153.240
Base-Backbone interact. energy: -0.826
local terms energy: -146.475185
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -30.046
flat angles C4'-P-C4' energy: -34.464
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -40.633
Dist. restrs. and SS energy: 0.250 (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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -509.058425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.058425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.113407 (E_RNA)
where:
Base-Base interactions energy: -369.447
where: short stacking energy: -153.147
Base-Backbone interact. energy: -0.352
local terms energy: -139.313695
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -31.048
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.055 (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: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -507.681627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.681627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.840783 (E_RNA)
where:
Base-Base interactions energy: -358.014
where: short stacking energy: -140.709
Base-Backbone interact. energy: -0.038
local terms energy: -149.789186
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -33.430
flat angles C4'-P-C4' energy: -32.189
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -37.910
Dist. restrs. and SS energy: 0.159 (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: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -498.184532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.184532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.516148 (E_RNA)
where:
Base-Base interactions energy: -359.816
where: short stacking energy: -141.214
Base-Backbone interact. energy: -0.357
local terms energy: -138.343916
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -37.387
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -470.931904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.931904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.245162 (E_RNA)
where:
Base-Base interactions energy: -337.875
where: short stacking energy: -143.806
Base-Backbone interact. energy: -0.588
local terms energy: -132.781910
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -484.481710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.481710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.656857 (E_RNA)
where:
Base-Base interactions energy: -342.134
where: short stacking energy: -133.610
Base-Backbone interact. energy: 1.073
local terms energy: -143.595949
where:
bonds (distance) C4'-P energy: -32.339
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -33.388
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -463.334942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.334942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.869696 (E_RNA)
where:
Base-Base interactions energy: -341.317
where: short stacking energy: -139.939
Base-Backbone interact. energy: 0.146
local terms energy: -122.698721
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -30.018
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.535 (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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -442.513525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.513525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.229924 (E_RNA)
where:
Base-Base interactions energy: -316.646
where: short stacking energy: -118.468
Base-Backbone interact. energy: -0.092
local terms energy: -126.492143
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -451.566552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.566552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.868064 (E_RNA)
where:
Base-Base interactions energy: -326.529
where: short stacking energy: -128.785
Base-Backbone interact. energy: -0.853
local terms energy: -124.486894
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -29.441
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.302 (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: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -527.954692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.954692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.001925 (E_RNA)
where:
Base-Base interactions energy: -376.427
where: short stacking energy: -158.742
Base-Backbone interact. energy: -0.503
local terms energy: -151.071603
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -40.375
Dist. restrs. and SS energy: 0.047 (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: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -527.919191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.919191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.235368 (E_RNA)
where:
Base-Base interactions energy: -373.906
where: short stacking energy: -150.737
Base-Backbone interact. energy: -0.379
local terms energy: -153.949929
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -33.909
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -37.263
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -509.407884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.407884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.441120 (E_RNA)
where:
Base-Base interactions energy: -356.852
where: short stacking energy: -151.900
Base-Backbone interact. energy: -0.478
local terms energy: -152.111075
where:
bonds (distance) C4'-P energy: -29.744
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -41.567
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -497.235235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.235235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.401714 (E_RNA)
where:
Base-Base interactions energy: -356.890
where: short stacking energy: -135.863
Base-Backbone interact. energy: -0.665
local terms energy: -139.846283
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -36.331
Dist. restrs. and SS energy: 0.166 (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: 343
Temperature: 1.100000
Total energy: -500.996269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.996269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.118131 (E_RNA)
where:
Base-Base interactions energy: -353.949
where: short stacking energy: -142.931
Base-Backbone interact. energy: -0.518
local terms energy: -146.651510
where:
bonds (distance) C4'-P energy: -31.390
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -40.502
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -469.316040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.316040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.498812 (E_RNA)
where:
Base-Base interactions energy: -334.221
where: short stacking energy: -128.005
Base-Backbone interact. energy: -0.525
local terms energy: -134.752508
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -24.777
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -36.967
Dist. restrs. and SS energy: 0.183 (S_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: 343
Temperature: 1.200000
Total energy: -467.619815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.944606 (E_RNA)
where:
Base-Base interactions energy: -321.090
where: short stacking energy: -120.793
Base-Backbone interact. energy: 0.298
local terms energy: -147.153156
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -453.814940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.814940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.061434 (E_RNA)
where:
Base-Base interactions energy: -338.224
where: short stacking energy: -129.681
Base-Backbone interact. energy: -0.665
local terms energy: -115.172217
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -457.763032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.763032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.162156 (E_RNA)
where:
Base-Base interactions energy: -318.791
where: short stacking energy: -135.015
Base-Backbone interact. energy: -0.605
local terms energy: -138.766666
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -17.044
tors. eta vs tors. theta energy: -40.735
Dist. restrs. and SS energy: 0.399 (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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -444.882045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.882045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.648922 (E_RNA)
where:
Base-Base interactions energy: -319.090
where: short stacking energy: -122.825
Base-Backbone interact. energy: -0.764
local terms energy: -125.794238
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -25.610
flat angles C4'-P-C4' energy: -30.695
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.767 (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: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -539.551083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.551083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.797174 (E_RNA)
where:
Base-Base interactions energy: -380.940
where: short stacking energy: -151.734
Base-Backbone interact. energy: -0.664
local terms energy: -158.193053
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -32.076
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -42.883
Dist. restrs. and SS energy: 0.246 (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: 344
Temperature: 0.950000
Total energy: -520.058583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.058583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.305088 (E_RNA)
where:
Base-Base interactions energy: -360.929
where: short stacking energy: -152.111
Base-Backbone interact. energy: -0.480
local terms energy: -158.896136
where:
bonds (distance) C4'-P energy: -32.700
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.247 (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: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -503.940512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.940512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.282226 (E_RNA)
where:
Base-Base interactions energy: -356.357
where: short stacking energy: -145.002
Base-Backbone interact. energy: -0.325
local terms energy: -147.599446
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -39.204
Dist. restrs. and SS energy: 0.342 (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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -511.529875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.529875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.635500 (E_RNA)
where:
Base-Base interactions energy: -361.876
where: short stacking energy: -151.488
Base-Backbone interact. energy: -0.638
local terms energy: -149.121232
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -27.547
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -38.576
Dist. restrs. and SS energy: 0.106 (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: 344
Temperature: 1.100000
Total energy: -487.520699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.520699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.622909 (E_RNA)
where:
Base-Base interactions energy: -351.291
where: short stacking energy: -140.810
Base-Backbone interact. energy: -0.618
local terms energy: -135.714658
where:
bonds (distance) C4'-P energy: -28.362
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -37.584
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -488.029846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.029846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.549829 (E_RNA)
where:
Base-Base interactions energy: -352.810
where: short stacking energy: -136.925
Base-Backbone interact. energy: -0.767
local terms energy: -134.972685
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -36.569
Dist. restrs. and SS energy: 0.520 (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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -473.977624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.977624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.611529 (E_RNA)
where:
Base-Base interactions energy: -337.019
where: short stacking energy: -129.556
Base-Backbone interact. energy: 2.115
local terms energy: -139.707737
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -17.474
tors. eta vs tors. theta energy: -34.232
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -430.435301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.435301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.643296 (E_RNA)
where:
Base-Base interactions energy: -310.450
where: short stacking energy: -118.255
Base-Backbone interact. energy: -0.485
local terms energy: -119.708467
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -25.130
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.208 (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: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -443.666804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.666804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.824544 (E_RNA)
where:
Base-Base interactions energy: -319.217
where: short stacking energy: -127.860
Base-Backbone interact. energy: -0.310
local terms energy: -124.297826
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -29.092
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -426.388416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.388416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.540960 (E_RNA)
where:
Base-Base interactions energy: -310.877
where: short stacking energy: -115.388
Base-Backbone interact. energy: 2.052
local terms energy: -117.715509
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -529.466943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.466943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.063740 (E_RNA)
where:
Base-Base interactions energy: -375.352
where: short stacking energy: -153.219
Base-Backbone interact. energy: -0.433
local terms energy: -154.279198
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -40.616
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -523.466790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.466790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.664597 (E_RNA)
where:
Base-Base interactions energy: -370.118
where: short stacking energy: -156.803
Base-Backbone interact. energy: -0.542
local terms energy: -153.004063
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -44.068
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -517.691449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.691449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.737237 (E_RNA)
where:
Base-Base interactions energy: -363.857
where: short stacking energy: -150.080
Base-Backbone interact. energy: -0.544
local terms energy: -153.336012
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -42.728
Dist. restrs. and SS energy: 0.046 (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: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -515.748048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.748048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.881348 (E_RNA)
where:
Base-Base interactions energy: -365.971
where: short stacking energy: -144.642
Base-Backbone interact. energy: -1.481
local terms energy: -148.430027
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -31.049
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -40.232
Dist. restrs. and SS energy: 0.133 (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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -485.812374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.812374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.954229 (E_RNA)
where:
Base-Base interactions energy: -337.521
where: short stacking energy: -140.808
Base-Backbone interact. energy: 0.279
local terms energy: -148.712050
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -32.081
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -41.170
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -483.180450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.180450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.303423 (E_RNA)
where:
Base-Base interactions energy: -350.880
where: short stacking energy: -135.545
Base-Backbone interact. energy: 0.031
local terms energy: -132.454630
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -27.187
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -34.116
Dist. restrs. and SS energy: 0.123 (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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -474.782060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.782060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.046732 (E_RNA)
where:
Base-Base interactions energy: -331.348
where: short stacking energy: -138.021
Base-Backbone interact. energy: 1.751
local terms energy: -145.449427
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -461.135756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.135756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.347428 (E_RNA)
where:
Base-Base interactions energy: -324.633
where: short stacking energy: -133.823
Base-Backbone interact. energy: 0.349
local terms energy: -137.063160
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -450.294799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.294799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.623232 (E_RNA)
where:
Base-Base interactions energy: -320.047
where: short stacking energy: -123.817
Base-Backbone interact. energy: 0.183
local terms energy: -130.758909
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.328 (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: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -408.283178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.283178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.800179 (E_RNA)
where:
Base-Base interactions energy: -289.086
where: short stacking energy: -115.112
Base-Backbone interact. energy: -0.770
local terms energy: -118.944016
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -30.740
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -27.128
Dist. restrs. and SS energy: 0.517 (S_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: -532.911397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.911397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.174444 (E_RNA)
where:
Base-Base interactions energy: -376.343
where: short stacking energy: -151.246
Base-Backbone interact. energy: 0.534
local terms energy: -157.365326
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -32.292
flat angles C4'-P-C4' energy: -34.737
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.263 (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: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -523.491041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.491041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.717916 (E_RNA)
where:
Base-Base interactions energy: -364.203
where: short stacking energy: -157.870
Base-Backbone interact. energy: -0.899
local terms energy: -158.615858
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -34.048
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -40.761
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -512.085361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.085361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.214647 (E_RNA)
where:
Base-Base interactions energy: -366.684
where: short stacking energy: -150.459
Base-Backbone interact. energy: -1.922
local terms energy: -143.608564
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -33.439
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -39.313
Dist. restrs. and SS energy: 0.129 (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: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -492.901628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.901628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.270531 (E_RNA)
where:
Base-Base interactions energy: -354.395
where: short stacking energy: -140.609
Base-Backbone interact. energy: -0.048
local terms energy: -138.828037
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -32.096
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -478.442915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.442915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.543443 (E_RNA)
where:
Base-Base interactions energy: -355.106
where: short stacking energy: -134.100
Base-Backbone interact. energy: -0.540
local terms energy: -122.897358
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -471.174508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.174508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.650953 (E_RNA)
where:
Base-Base interactions energy: -334.317
where: short stacking energy: -143.781
Base-Backbone interact. energy: -0.604
local terms energy: -136.729447
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -20.580
tors. eta vs tors. theta energy: -38.130
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -466.058450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.058450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.497358 (E_RNA)
where:
Base-Base interactions energy: -326.488
where: short stacking energy: -135.858
Base-Backbone interact. energy: 0.370
local terms energy: -140.379615
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -28.758
flat angles P-C4'-P energy: -22.802
tors. eta vs tors. theta energy: -37.055
Dist. restrs. and SS energy: 0.439 (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: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -441.248862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.248862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.512565 (E_RNA)
where:
Base-Base interactions energy: -313.799
where: short stacking energy: -124.458
Base-Backbone interact. energy: 0.708
local terms energy: -128.421408
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -452.530088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.530088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.646469 (E_RNA)
where:
Base-Base interactions energy: -314.101
where: short stacking energy: -118.832
Base-Backbone interact. energy: -0.383
local terms energy: -138.162449
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -32.983
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -35.179
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -447.076513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.076513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.313595 (E_RNA)
where:
Base-Base interactions energy: -321.490
where: short stacking energy: -125.889
Base-Backbone interact. energy: -0.774
local terms energy: -125.049426
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -28.547
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -30.386
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -533.258865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.258865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.303394 (E_RNA)
where:
Base-Base interactions energy: -367.677
where: short stacking energy: -161.143
Base-Backbone interact. energy: -0.634
local terms energy: -164.992532
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -32.207
flat angles P-C4'-P energy: -29.709
tors. eta vs tors. theta energy: -42.829
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -529.530166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.530166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.730456 (E_RNA)
where:
Base-Base interactions energy: -367.019
where: short stacking energy: -158.175
Base-Backbone interact. energy: -0.198
local terms energy: -162.513103
where:
bonds (distance) C4'-P energy: -31.838
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -36.938
flat angles P-C4'-P energy: -21.696
tors. eta vs tors. theta energy: -42.905
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -509.731465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.731465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.250072 (E_RNA)
where:
Base-Base interactions energy: -356.380
where: short stacking energy: -145.898
Base-Backbone interact. energy: 1.022
local terms energy: -154.891630
where:
bonds (distance) C4'-P energy: -32.302
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -37.471
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -533.772081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.772081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.366280 (E_RNA)
where:
Base-Base interactions energy: -375.505
where: short stacking energy: -157.428
Base-Backbone interact. energy: -0.480
local terms energy: -158.381394
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.594 (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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -492.996229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.996229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.290685 (E_RNA)
where:
Base-Base interactions energy: -349.042
where: short stacking energy: -141.839
Base-Backbone interact. energy: -1.220
local terms energy: -143.028450
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -30.671
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -39.807
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -474.907030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.907030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.061351 (E_RNA)
where:
Base-Base interactions energy: -353.390
where: short stacking energy: -147.818
Base-Backbone interact. energy: -1.093
local terms energy: -120.578793
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -38.110
Dist. restrs. and SS energy: 0.154 (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: 347
Temperature: 1.200000
Total energy: -484.628885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.628885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.033660 (E_RNA)
where:
Base-Base interactions energy: -342.247
where: short stacking energy: -136.922
Base-Backbone interact. energy: -0.786
local terms energy: -142.000344
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.405 (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: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -448.478887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.478887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.541250 (E_RNA)
where:
Base-Base interactions energy: -318.878
where: short stacking energy: -116.535
Base-Backbone interact. energy: -0.454
local terms energy: -129.208897
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -33.070
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -452.739253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.739253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.985506 (E_RNA)
where:
Base-Base interactions energy: -319.182
where: short stacking energy: -117.942
Base-Backbone interact. energy: 0.566
local terms energy: -134.369441
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.246 (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: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -429.354933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.354933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.144493 (E_RNA)
where:
Base-Base interactions energy: -307.980
where: short stacking energy: -130.037
Base-Backbone interact. energy: -0.390
local terms energy: -121.774297
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -28.213
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.448
tors. eta vs tors. theta energy: -30.536
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: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -524.849134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.929579 (E_RNA)
where:
Base-Base interactions energy: -366.275
where: short stacking energy: -151.462
Base-Backbone interact. energy: -0.291
local terms energy: -158.363130
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -21.730
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: 0.080 (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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -531.564147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.564147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.626937 (E_RNA)
where:
Base-Base interactions energy: -374.027
where: short stacking energy: -152.852
Base-Backbone interact. energy: -0.591
local terms energy: -157.008609
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -30.242
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.063 (S_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: 348
Temperature: 1.000000
Total energy: -499.590604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.590604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.160804 (E_RNA)
where:
Base-Base interactions energy: -352.778
where: short stacking energy: -145.029
Base-Backbone interact. energy: -0.908
local terms energy: -146.474672
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -27.345
flat angles P-C4'-P energy: -24.305
tors. eta vs tors. theta energy: -35.293
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: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -495.542218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.542218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.733954 (E_RNA)
where:
Base-Base interactions energy: -352.496
where: short stacking energy: -144.272
Base-Backbone interact. energy: 0.232
local terms energy: -143.469984
where:
bonds (distance) C4'-P energy: -28.331
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -37.054
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -472.889761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.889761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.085190 (E_RNA)
where:
Base-Base interactions energy: -329.424
where: short stacking energy: -129.728
Base-Backbone interact. energy: -0.551
local terms energy: -143.110510
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -454.649593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.649593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.959989 (E_RNA)
where:
Base-Base interactions energy: -331.781
where: short stacking energy: -129.261
Base-Backbone interact. energy: -0.886
local terms energy: -122.292982
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -26.752
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -28.054
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -465.126396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.126396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.281506 (E_RNA)
where:
Base-Base interactions energy: -323.994
where: short stacking energy: -141.778
Base-Backbone interact. energy: 1.037
local terms energy: -143.324258
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -40.703
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -449.832262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.832262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.434225 (E_RNA)
where:
Base-Base interactions energy: -313.074
where: short stacking energy: -113.869
Base-Backbone interact. energy: -0.654
local terms energy: -136.706669
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -34.500
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -27.751
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -455.918582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.918582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.125171 (E_RNA)
where:
Base-Base interactions energy: -327.140
where: short stacking energy: -133.644
Base-Backbone interact. energy: 2.167
local terms energy: -131.152075
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -37.241
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -431.301678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.301678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.743492 (E_RNA)
where:
Base-Base interactions energy: -300.771
where: short stacking energy: -118.701
Base-Backbone interact. energy: -0.645
local terms energy: -130.327737
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -30.560
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -29.316
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -541.373418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.373418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.680604 (E_RNA)
where:
Base-Base interactions energy: -383.381
where: short stacking energy: -161.176
Base-Backbone interact. energy: -0.471
local terms energy: -157.828555
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -41.201
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -540.449935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.449935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.751919 (E_RNA)
where:
Base-Base interactions energy: -383.723
where: short stacking energy: -158.047
Base-Backbone interact. energy: -0.068
local terms energy: -156.960148
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -41.363
Dist. restrs. and SS energy: 0.302 (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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -528.774843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.774843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.954547 (E_RNA)
where:
Base-Base interactions energy: -383.480
where: short stacking energy: -141.451
Base-Backbone interact. energy: -0.327
local terms energy: -145.146807
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -41.556
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -483.530483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.530483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.692206 (E_RNA)
where:
Base-Base interactions energy: -344.089
where: short stacking energy: -137.128
Base-Backbone interact. energy: -1.796
local terms energy: -137.806922
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -34.627
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -519.218479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.330808 (E_RNA)
where:
Base-Base interactions energy: -367.718
where: short stacking energy: -151.573
Base-Backbone interact. energy: -1.233
local terms energy: -150.378931
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.112 (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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -453.937409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.937409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.330569 (E_RNA)
where:
Base-Base interactions energy: -327.260
where: short stacking energy: -126.331
Base-Backbone interact. energy: 0.564
local terms energy: -133.634561
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -31.716
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -464.194733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.194733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.287429 (E_RNA)
where:
Base-Base interactions energy: -330.478
where: short stacking energy: -140.223
Base-Backbone interact. energy: -0.425
local terms energy: -133.384705
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -27.952
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -33.425
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -451.262547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.262547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.382955 (E_RNA)
where:
Base-Base interactions energy: -318.302
where: short stacking energy: -117.523
Base-Backbone interact. energy: -0.428
local terms energy: -132.653116
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -25.485
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -30.707
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -466.011816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.011816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.242104 (E_RNA)
where:
Base-Base interactions energy: -332.398
where: short stacking energy: -138.981
Base-Backbone interact. energy: 1.058
local terms energy: -134.902354
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -29.555
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -35.590
Dist. restrs. and SS energy: 0.230 (S_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: 349
Temperature: 1.350000
Total energy: -427.392148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.392148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.821162 (E_RNA)
where:
Base-Base interactions energy: -293.688
where: short stacking energy: -116.188
Base-Backbone interact. energy: -0.268
local terms energy: -133.865494
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -27.760
flat angles P-C4'-P energy: -20.515
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.429 (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: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -534.578860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.578860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.903993 (E_RNA)
where:
Base-Base interactions energy: -381.579
where: short stacking energy: -151.246
Base-Backbone interact. energy: 0.815
local terms energy: -154.140014
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -42.474
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -520.581930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.581930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.717435 (E_RNA)
where:
Base-Base interactions energy: -369.184
where: short stacking energy: -152.748
Base-Backbone interact. energy: -0.314
local terms energy: -151.219552
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -30.329
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -35.502
Dist. restrs. and SS energy: 0.136 (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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -513.271133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.271133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.473637 (E_RNA)
where:
Base-Base interactions energy: -357.755
where: short stacking energy: -149.446
Base-Backbone interact. energy: -1.266
local terms energy: -154.452414
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.203 (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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -489.672247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.672247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.852202 (E_RNA)
where:
Base-Base interactions energy: -337.335
where: short stacking energy: -143.668
Base-Backbone interact. energy: -1.089
local terms energy: -151.428549
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -27.512
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -41.418
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -483.739996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.739996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.053163 (E_RNA)
where:
Base-Base interactions energy: -333.606
where: short stacking energy: -137.135
Base-Backbone interact. energy: -1.916
local terms energy: -148.531325
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -33.634
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -39.292
Dist. restrs. and SS energy: 0.313 (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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -463.917940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.917940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.174315 (E_RNA)
where:
Base-Base interactions energy: -328.168
where: short stacking energy: -121.672
Base-Backbone interact. energy: -0.709
local terms energy: -135.297317
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -21.306
tors. eta vs tors. theta energy: -28.876
Dist. restrs. and SS energy: 0.256 (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: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -456.252445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.252445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.366340 (E_RNA)
where:
Base-Base interactions energy: -326.771
where: short stacking energy: -123.062
Base-Backbone interact. energy: 0.390
local terms energy: -129.984898
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -35.057
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -458.320523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.320523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.776159 (E_RNA)
where:
Base-Base interactions energy: -327.014
where: short stacking energy: -125.888
Base-Backbone interact. energy: -1.196
local terms energy: -130.566374
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -456.344877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.344877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.683197 (E_RNA)
where:
Base-Base interactions energy: -322.404
where: short stacking energy: -124.877
Base-Backbone interact. energy: -0.376
local terms energy: -133.902957
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -35.679
Dist. restrs. and SS energy: 0.338 (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: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -414.517913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.517913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.706904 (E_RNA)
where:
Base-Base interactions energy: -296.323
where: short stacking energy: -116.092
Base-Backbone interact. energy: 0.137
local terms energy: -118.520394
where:
bonds (distance) C4'-P energy: -24.977
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -24.517
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.189 (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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -541.933277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.933277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.980725 (E_RNA)
where:
Base-Base interactions energy: -381.791
where: short stacking energy: -154.672
Base-Backbone interact. energy: -0.346
local terms energy: -159.843332
where:
bonds (distance) C4'-P energy: -29.606
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: -40.513
Dist. restrs. and SS energy: 0.047 (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: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -513.044080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.044080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.211448 (E_RNA)
where:
Base-Base interactions energy: -364.830
where: short stacking energy: -150.171
Base-Backbone interact. energy: -0.364
local terms energy: -148.017524
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -28.295
flat angles C4'-P-C4' energy: -31.342
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -40.007
Dist. restrs. and SS energy: 0.167 (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: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -519.533573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.533573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.611353 (E_RNA)
where:
Base-Base interactions energy: -373.173
where: short stacking energy: -145.066
Base-Backbone interact. energy: -2.096
local terms energy: -144.341661
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -30.896
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.078 (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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -484.234504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.234504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.282817 (E_RNA)
where:
Base-Base interactions energy: -342.303
where: short stacking energy: -138.305
Base-Backbone interact. energy: -0.588
local terms energy: -141.392269
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -33.316
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -36.199
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -486.851282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.851282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.147848 (E_RNA)
where:
Base-Base interactions energy: -348.622
where: short stacking energy: -143.760
Base-Backbone interact. energy: 0.045
local terms energy: -138.570675
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -20.480
tors. eta vs tors. theta energy: -33.820
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -469.718550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.718550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.885856 (E_RNA)
where:
Base-Base interactions energy: -333.049
where: short stacking energy: -136.772
Base-Backbone interact. energy: -0.501
local terms energy: -136.336133
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -39.216
Dist. restrs. and SS energy: 0.167 (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: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -450.508565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.508565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.663647 (E_RNA)
where:
Base-Base interactions energy: -327.391
where: short stacking energy: -116.555
Base-Backbone interact. energy: -0.590
local terms energy: -122.682781
where:
bonds (distance) C4'-P energy: -23.976
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -26.221
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -28.818
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -442.081716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.081716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.532056 (E_RNA)
where:
Base-Base interactions energy: -318.885
where: short stacking energy: -120.361
Base-Backbone interact. energy: 4.034
local terms energy: -127.680999
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -26.686
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -31.793
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -444.120206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.120206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.758096 (E_RNA)
where:
Base-Base interactions energy: -312.127
where: short stacking energy: -122.828
Base-Backbone interact. energy: 3.546
local terms energy: -136.177011
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -32.709
Dist. restrs. and SS energy: 0.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -431.465952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.465952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.983273 (E_RNA)
where:
Base-Base interactions energy: -311.583
where: short stacking energy: -124.489
Base-Backbone interact. energy: -0.509
local terms energy: -119.891242
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.517 (S_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: 352
Temperature: 0.900000
Total energy: -523.817183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.817183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.911060 (E_RNA)
where:
Base-Base interactions energy: -368.223
where: short stacking energy: -151.344
Base-Backbone interact. energy: -0.318
local terms energy: -155.370461
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -26.766
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -521.988823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.988823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.019843 (E_RNA)
where:
Base-Base interactions energy: -371.023
where: short stacking energy: -148.998
Base-Backbone interact. energy: 1.227
local terms energy: -152.224128
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -40.182
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -509.009121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.009121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.458230 (E_RNA)
where:
Base-Base interactions energy: -359.225
where: short stacking energy: -150.458
Base-Backbone interact. energy: 0.077
local terms energy: -150.310343
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.449 (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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -482.591995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.591995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.831028 (E_RNA)
where:
Base-Base interactions energy: -340.006
where: short stacking energy: -136.750
Base-Backbone interact. energy: -0.520
local terms energy: -142.304099
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -479.779941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.779941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.086480 (E_RNA)
where:
Base-Base interactions energy: -335.899
where: short stacking energy: -132.907
Base-Backbone interact. energy: -0.152
local terms energy: -144.035413
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -32.057
Dist. restrs. and SS energy: 0.307 (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: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -476.558656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.558656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.873521 (E_RNA)
where:
Base-Base interactions energy: -337.114
where: short stacking energy: -136.725
Base-Backbone interact. energy: -0.399
local terms energy: -139.360100
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -33.884
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -467.277372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.277372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.484134 (E_RNA)
where:
Base-Base interactions energy: -328.006
where: short stacking energy: -129.604
Base-Backbone interact. energy: -0.345
local terms energy: -139.133507
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -31.172
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -35.065
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -459.415097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.415097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.769214 (E_RNA)
where:
Base-Base interactions energy: -325.713
where: short stacking energy: -120.268
Base-Backbone interact. energy: -0.112
local terms energy: -133.944344
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -36.015
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -441.336341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.336341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.567032 (E_RNA)
where:
Base-Base interactions energy: -319.875
where: short stacking energy: -125.526
Base-Backbone interact. energy: 0.337
local terms energy: -122.028954
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -433.954925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.954925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.410029 (E_RNA)
where:
Base-Base interactions energy: -312.858
where: short stacking energy: -120.593
Base-Backbone interact. energy: -0.124
local terms energy: -121.427781
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -27.074
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -537.043966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.043966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.196107 (E_RNA)
where:
Base-Base interactions energy: -371.681
where: short stacking energy: -154.754
Base-Backbone interact. energy: -0.279
local terms energy: -165.235723
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -523.202668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.202668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.454190 (E_RNA)
where:
Base-Base interactions energy: -363.656
where: short stacking energy: -156.066
Base-Backbone interact. energy: -0.363
local terms energy: -159.435319
where:
bonds (distance) C4'-P energy: -26.273
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -43.360
Dist. restrs. and SS energy: 0.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -513.663521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.663521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.857077 (E_RNA)
where:
Base-Base interactions energy: -361.879
where: short stacking energy: -153.655
Base-Backbone interact. energy: -0.728
local terms energy: -151.250017
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -27.845
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -45.210
Dist. restrs. and SS energy: 0.194 (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: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -510.519616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.519616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.648766 (E_RNA)
where:
Base-Base interactions energy: -366.096
where: short stacking energy: -151.548
Base-Backbone interact. energy: -0.495
local terms energy: -144.057828
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -25.070
tors. eta vs tors. theta energy: -41.304
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -470.543814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.857276 (E_RNA)
where:
Base-Base interactions energy: -340.207
where: short stacking energy: -128.636
Base-Backbone interact. energy: -0.405
local terms energy: -130.246093
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.313 (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: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -473.208819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.208819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.298025 (E_RNA)
where:
Base-Base interactions energy: -336.526
where: short stacking energy: -132.855
Base-Backbone interact. energy: -0.266
local terms energy: -136.505684
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -464.784513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.784513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.995629 (E_RNA)
where:
Base-Base interactions energy: -327.579
where: short stacking energy: -125.993
Base-Backbone interact. energy: -0.727
local terms energy: -136.689598
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -29.336
flat angles C4'-P-C4' energy: -25.419
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -34.647
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -458.484393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.484393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.616350 (E_RNA)
where:
Base-Base interactions energy: -325.518
where: short stacking energy: -122.801
Base-Backbone interact. energy: -0.551
local terms energy: -132.546708
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -26.174
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.132 (S_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: 353
Temperature: 1.300000
Total energy: -460.465668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.465668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.635914 (E_RNA)
where:
Base-Base interactions energy: -329.178
where: short stacking energy: -133.118
Base-Backbone interact. energy: -1.210
local terms energy: -130.247375
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -27.941
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -19.036
tors. eta vs tors. theta energy: -33.822
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -435.101530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.101530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.625092 (E_RNA)
where:
Base-Base interactions energy: -309.187
where: short stacking energy: -126.209
Base-Backbone interact. energy: -0.019
local terms energy: -126.419693
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -30.420
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -33.614
Dist. restrs. and SS energy: 0.524 (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: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -531.781866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.781866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.000146 (E_RNA)
where:
Base-Base interactions energy: -372.285
where: short stacking energy: -160.635
Base-Backbone interact. energy: -0.333
local terms energy: -159.381640
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -28.351
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -43.071
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -526.299869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.299869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.643013 (E_RNA)
where:
Base-Base interactions energy: -368.246
where: short stacking energy: -142.994
Base-Backbone interact. energy: -0.722
local terms energy: -157.674595
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.343 (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: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -519.019643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.019643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.498666 (E_RNA)
where:
Base-Base interactions energy: -364.778
where: short stacking energy: -152.956
Base-Backbone interact. energy: -0.367
local terms energy: -154.354308
where:
bonds (distance) C4'-P energy: -26.946
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -34.130
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -38.961
Dist. restrs. and SS energy: 0.479 (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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -496.228899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.228899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.345283 (E_RNA)
where:
Base-Base interactions energy: -361.125
where: short stacking energy: -137.502
Base-Backbone interact. energy: -0.455
local terms energy: -134.764966
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -27.493
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.116 (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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -477.912662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.912662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.917501 (E_RNA)
where:
Base-Base interactions energy: -338.088
where: short stacking energy: -136.900
Base-Backbone interact. energy: -0.671
local terms energy: -139.158409
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -34.624
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -35.711
Dist. restrs. and SS energy: 0.005 (S_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: 354
Temperature: 1.150000
Total energy: -470.178459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.178459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.511842 (E_RNA)
where:
Base-Base interactions energy: -338.091
where: short stacking energy: -130.131
Base-Backbone interact. energy: -0.463
local terms energy: -131.958024
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -30.702
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -35.129
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -450.737910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.737910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.100116 (E_RNA)
where:
Base-Base interactions energy: -325.233
where: short stacking energy: -124.575
Base-Backbone interact. energy: -0.458
local terms energy: -125.409992
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -451.976040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.976040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.132910 (E_RNA)
where:
Base-Base interactions energy: -332.167
where: short stacking energy: -134.106
Base-Backbone interact. energy: -0.334
local terms energy: -119.632057
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.157 (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: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -473.599357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.599357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.793026 (E_RNA)
where:
Base-Base interactions energy: -337.958
where: short stacking energy: -135.179
Base-Backbone interact. energy: 0.968
local terms energy: -136.802160
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -41.442
Dist. restrs. and SS energy: 0.194 (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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -471.141927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.141927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.672995 (E_RNA)
where:
Base-Base interactions energy: -333.693
where: short stacking energy: -125.402
Base-Backbone interact. energy: -0.423
local terms energy: -137.556701
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -36.105
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: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -531.568991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.568991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.511994 (E_RNA)
where:
Base-Base interactions energy: -377.941
where: short stacking energy: -159.943
Base-Backbone interact. energy: -0.432
local terms energy: -154.138258
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -43.014
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -529.899600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.899600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.944579 (E_RNA)
where:
Base-Base interactions energy: -371.978
where: short stacking energy: -157.154
Base-Backbone interact. energy: -0.984
local terms energy: -156.983506
where:
bonds (distance) C4'-P energy: -30.136
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -42.843
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -506.838561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.838561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.095693 (E_RNA)
where:
Base-Base interactions energy: -350.070
where: short stacking energy: -142.863
Base-Backbone interact. energy: -1.128
local terms energy: -155.897625
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -32.666
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -515.945197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.945197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.063861 (E_RNA)
where:
Base-Base interactions energy: -366.283
where: short stacking energy: -158.995
Base-Backbone interact. energy: -1.166
local terms energy: -148.615368
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -33.204
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -39.661
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -488.662727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.662727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.071519 (E_RNA)
where:
Base-Base interactions energy: -351.574
where: short stacking energy: -134.016
Base-Backbone interact. energy: -0.453
local terms energy: -137.044423
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -28.009
flat angles C4'-P-C4' energy: -32.689
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -34.205
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -475.530737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.530737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.868610 (E_RNA)
where:
Base-Base interactions energy: -333.189
where: short stacking energy: -132.857
Base-Backbone interact. energy: -0.993
local terms energy: -141.686563
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -28.356
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.338 (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: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -442.210508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.210508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.810875 (E_RNA)
where:
Base-Base interactions energy: -314.577
where: short stacking energy: -122.128
Base-Backbone interact. energy: 1.960
local terms energy: -130.194222
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -26.643
Dist. restrs. and SS energy: 0.600 (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: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -449.110889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.110889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.406864 (E_RNA)
where:
Base-Base interactions energy: -321.548
where: short stacking energy: -132.260
Base-Backbone interact. energy: 2.512
local terms energy: -130.371464
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -34.390
Dist. restrs. and SS energy: 0.296 (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: 355
Temperature: 1.300000
Total energy: -443.933242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.933242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.068569 (E_RNA)
where:
Base-Base interactions energy: -311.174
where: short stacking energy: -114.616
Base-Backbone interact. energy: -0.564
local terms energy: -133.330047
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -438.523024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.523024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.760964 (E_RNA)
where:
Base-Base interactions energy: -308.024
where: short stacking energy: -124.405
Base-Backbone interact. energy: 0.838
local terms energy: -131.575540
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -31.276
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -537.504136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.504136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.639545 (E_RNA)
where:
Base-Base interactions energy: -387.077
where: short stacking energy: -151.860
Base-Backbone interact. energy: 0.008
local terms energy: -150.570615
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -42.385
Dist. restrs. and SS energy: 0.135 (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: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -518.604368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.604368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.880926 (E_RNA)
where:
Base-Base interactions energy: -383.188
where: short stacking energy: -142.603
Base-Backbone interact. energy: -0.409
local terms energy: -135.283449
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -30.565
Dist. restrs. and SS energy: 0.277 (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: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -513.995352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.995352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.064329 (E_RNA)
where:
Base-Base interactions energy: -361.199
where: short stacking energy: -148.381
Base-Backbone interact. energy: -0.290
local terms energy: -152.575525
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -21.501
tors. eta vs tors. theta energy: -38.585
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -506.321593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.321593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.799207 (E_RNA)
where:
Base-Base interactions energy: -355.617
where: short stacking energy: -145.942
Base-Backbone interact. energy: -0.449
local terms energy: -150.733661
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -20.898
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -499.889613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.889613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.514181 (E_RNA)
where:
Base-Base interactions energy: -346.982
where: short stacking energy: -148.763
Base-Backbone interact. energy: -0.415
local terms energy: -153.116468
where:
bonds (distance) C4'-P energy: -28.969
bonds (distance) P-C4' energy: -28.529
flat angles C4'-P-C4' energy: -27.594
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.625 (S_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: 356
Temperature: 1.150000
Total energy: -475.543271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.543271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.604909 (E_RNA)
where:
Base-Base interactions energy: -345.990
where: short stacking energy: -141.271
Base-Backbone interact. energy: -0.720
local terms energy: -128.895427
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -33.733
Dist. restrs. and SS energy: 0.062 (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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -466.484331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.484331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.848539 (E_RNA)
where:
Base-Base interactions energy: -323.538
where: short stacking energy: -128.893
Base-Backbone interact. energy: 2.265
local terms energy: -145.575027
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -40.186
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -454.057269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.057269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.140969 (E_RNA)
where:
Base-Base interactions energy: -334.596
where: short stacking energy: -130.114
Base-Backbone interact. energy: 0.443
local terms energy: -119.987950
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -434.192849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.192849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.572104 (E_RNA)
where:
Base-Base interactions energy: -308.719
where: short stacking energy: -122.697
Base-Backbone interact. energy: 0.819
local terms energy: -129.671299
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -24.186
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -28.908
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -424.778899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.778899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.889235 (E_RNA)
where:
Base-Base interactions energy: -309.325
where: short stacking energy: -123.218
Base-Backbone interact. energy: 0.562
local terms energy: -116.126087
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -28.929
flat angles C4'-P-C4' energy: -24.774
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -534.379372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.379372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.817025 (E_RNA)
where:
Base-Base interactions energy: -379.970
where: short stacking energy: -155.875
Base-Backbone interact. energy: 0.473
local terms energy: -155.320113
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -34.021
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -535.380778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.380778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.572718 (E_RNA)
where:
Base-Base interactions energy: -372.503
where: short stacking energy: -148.380
Base-Backbone interact. energy: -0.338
local terms energy: -162.732075
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -32.221
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -42.238
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -525.881910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.881910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.908255 (E_RNA)
where:
Base-Base interactions energy: -372.216
where: short stacking energy: -149.548
Base-Backbone interact. energy: -0.813
local terms energy: -152.878458
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -41.144
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -510.184096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.184096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.322618 (E_RNA)
where:
Base-Base interactions energy: -355.238
where: short stacking energy: -132.263
Base-Backbone interact. energy: -0.212
local terms energy: -154.872427
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -40.123
Dist. restrs. and SS energy: 0.139 (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: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -495.968475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.968475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.141664 (E_RNA)
where:
Base-Base interactions energy: -353.329
where: short stacking energy: -153.474
Base-Backbone interact. energy: 0.480
local terms energy: -143.293075
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -25.466
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -38.524
Dist. restrs. and SS energy: 0.173 (S_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: 357
Temperature: 1.150000
Total energy: -471.296952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.296952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.386377 (E_RNA)
where:
Base-Base interactions energy: -334.990
where: short stacking energy: -140.267
Base-Backbone interact. energy: 0.358
local terms energy: -136.754311
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -38.546
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -487.594896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.594896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.294879 (E_RNA)
where:
Base-Base interactions energy: -361.421
where: short stacking energy: -135.001
Base-Backbone interact. energy: 0.383
local terms energy: -127.256254
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -451.254988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.254988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.520234 (E_RNA)
where:
Base-Base interactions energy: -326.236
where: short stacking energy: -128.125
Base-Backbone interact. energy: -2.117
local terms energy: -123.167213
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -33.649
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -449.828168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.828168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.636764 (E_RNA)
where:
Base-Base interactions energy: -305.994
where: short stacking energy: -120.647
Base-Backbone interact. energy: -0.468
local terms energy: -144.174752
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -32.747
Dist. restrs. and SS energy: 0.809 (S_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: 357
Temperature: 1.350000
Total energy: -428.678237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.678237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.334050 (E_RNA)
where:
Base-Base interactions energy: -304.893
where: short stacking energy: -127.619
Base-Backbone interact. energy: -0.116
local terms energy: -124.325044
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -27.034
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -29.290
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -538.566004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.566004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.894414 (E_RNA)
where:
Base-Base interactions energy: -376.870
where: short stacking energy: -160.727
Base-Backbone interact. energy: -1.092
local terms energy: -160.931636
where:
bonds (distance) C4'-P energy: -29.328
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -44.006
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -523.074980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.074980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.285740 (E_RNA)
where:
Base-Base interactions energy: -375.483
where: short stacking energy: -143.139
Base-Backbone interact. energy: -0.416
local terms energy: -147.386696
where:
bonds (distance) C4'-P energy: -24.190
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -38.902
Dist. restrs. and SS energy: 0.211 (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: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -526.222100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.222100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.316936 (E_RNA)
where:
Base-Base interactions energy: -365.459
where: short stacking energy: -147.478
Base-Backbone interact. energy: -0.372
local terms energy: -160.486211
where:
bonds (distance) C4'-P energy: -28.261
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -39.254
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -484.377422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.377422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.434070 (E_RNA)
where:
Base-Base interactions energy: -353.706
where: short stacking energy: -140.589
Base-Backbone interact. energy: 0.266
local terms energy: -130.994099
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -31.633
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -495.188696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.188696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.679014 (E_RNA)
where:
Base-Base interactions energy: -346.800
where: short stacking energy: -137.004
Base-Backbone interact. energy: 1.196
local terms energy: -150.074761
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -36.930
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -463.350735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.350735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.557255 (E_RNA)
where:
Base-Base interactions energy: -329.614
where: short stacking energy: -137.681
Base-Backbone interact. energy: 0.651
local terms energy: -134.594860
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -33.710
Dist. restrs. and SS energy: 0.207 (S_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: 358
Temperature: 1.200000
Total energy: -491.363774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.363774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.459118 (E_RNA)
where:
Base-Base interactions energy: -357.055
where: short stacking energy: -132.032
Base-Backbone interact. energy: -0.540
local terms energy: -133.863239
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -31.659
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -15.329
tors. eta vs tors. theta energy: -38.949
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -460.219335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.219335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.574368 (E_RNA)
where:
Base-Base interactions energy: -333.471
where: short stacking energy: -130.660
Base-Backbone interact. energy: -0.542
local terms energy: -126.561367
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -33.198
Dist. restrs. and SS energy: 0.355 (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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -446.747454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.747454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.587165 (E_RNA)
where:
Base-Base interactions energy: -310.534
where: short stacking energy: -124.487
Base-Backbone interact. energy: -0.696
local terms energy: -136.357306
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -27.985
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -31.391
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -434.459840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.459840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.420328 (E_RNA)
where:
Base-Base interactions energy: -315.811
where: short stacking energy: -123.544
Base-Backbone interact. energy: -0.033
local terms energy: -119.576615
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -31.813
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: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -528.335546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.335546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.570895 (E_RNA)
where:
Base-Base interactions energy: -381.139
where: short stacking energy: -155.374
Base-Backbone interact. energy: -3.728
local terms energy: -143.704541
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -23.018
tors. eta vs tors. theta energy: -41.439
Dist. restrs. and SS energy: 0.235 (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: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -521.580240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.580240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.825690 (E_RNA)
where:
Base-Base interactions energy: -369.718
where: short stacking energy: -145.436
Base-Backbone interact. energy: -0.200
local terms energy: -151.908321
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -38.039
Dist. restrs. and SS energy: 0.245 (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: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -513.001566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.001566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.163051 (E_RNA)
where:
Base-Base interactions energy: -371.802
where: short stacking energy: -150.743
Base-Backbone interact. energy: -0.471
local terms energy: -140.889111
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: -39.264
Dist. restrs. and SS energy: 0.161 (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: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -504.731346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.731346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.912498 (E_RNA)
where:
Base-Base interactions energy: -355.000
where: short stacking energy: -138.412
Base-Backbone interact. energy: -0.952
local terms energy: -148.960601
where:
bonds (distance) C4'-P energy: -29.384
bonds (distance) P-C4' energy: -30.994
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -511.347145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.347145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.532194 (E_RNA)
where:
Base-Base interactions energy: -361.981
where: short stacking energy: -142.299
Base-Backbone interact. energy: -1.337
local terms energy: -148.215112
where:
bonds (distance) C4'-P energy: -25.215
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -40.345
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -478.169086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.169086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.424502 (E_RNA)
where:
Base-Base interactions energy: -320.504
where: short stacking energy: -132.857
Base-Backbone interact. energy: -1.013
local terms energy: -156.907241
where:
bonds (distance) C4'-P energy: -30.158
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -38.649
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -473.929355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.929355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.404838 (E_RNA)
where:
Base-Base interactions energy: -335.432
where: short stacking energy: -132.982
Base-Backbone interact. energy: 0.366
local terms energy: -139.338873
where:
bonds (distance) C4'-P energy: -30.828
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -37.512
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -452.103991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.103991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.157189 (E_RNA)
where:
Base-Base interactions energy: -318.729
where: short stacking energy: -124.368
Base-Backbone interact. energy: 1.705
local terms energy: -135.133197
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -30.811
Dist. restrs. and SS energy: 0.053 (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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -466.136372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.136372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.253956 (E_RNA)
where:
Base-Base interactions energy: -320.867
where: short stacking energy: -123.404
Base-Backbone interact. energy: -1.384
local terms energy: -144.003765
where:
bonds (distance) C4'-P energy: -28.235
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -31.232
Dist. restrs. and SS energy: 0.118 (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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -409.392110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.392110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.720880 (E_RNA)
where:
Base-Base interactions energy: -290.540
where: short stacking energy: -110.498
Base-Backbone interact. energy: -0.300
local terms energy: -118.880779
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.329 (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: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -549.151995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.151995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.254098 (E_RNA)
where:
Base-Base interactions energy: -388.552
where: short stacking energy: -158.815
Base-Backbone interact. energy: -0.452
local terms energy: -160.250481
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -30.560
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -27.173
tors. eta vs tors. theta energy: -41.527
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -525.092255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.092255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.414751 (E_RNA)
where:
Base-Base interactions energy: -367.459
where: short stacking energy: -158.978
Base-Backbone interact. energy: -1.117
local terms energy: -156.838986
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -27.870
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -43.208
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -524.472069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.472069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.666863 (E_RNA)
where:
Base-Base interactions energy: -375.462
where: short stacking energy: -155.033
Base-Backbone interact. energy: -2.680
local terms energy: -146.524604
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -516.926399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.926399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.253453 (E_RNA)
where:
Base-Base interactions energy: -376.192
where: short stacking energy: -128.948
Base-Backbone interact. energy: -0.899
local terms energy: -140.162587
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -34.062
Dist. restrs. and SS energy: 0.327 (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: 360
Temperature: 1.100000
Total energy: -487.084637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.084637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.248068 (E_RNA)
where:
Base-Base interactions energy: -342.980
where: short stacking energy: -141.747
Base-Backbone interact. energy: -0.506
local terms energy: -143.761931
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -33.235
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: 0.163 (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: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -475.287609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.287609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.398552 (E_RNA)
where:
Base-Base interactions energy: -330.291
where: short stacking energy: -130.111
Base-Backbone interact. energy: -1.286
local terms energy: -143.821433
where:
bonds (distance) C4'-P energy: -26.121
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.111 (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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -481.806670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.806670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.226983 (E_RNA)
where:
Base-Base interactions energy: -342.233
where: short stacking energy: -141.757
Base-Backbone interact. energy: 3.751
local terms energy: -143.745555
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -40.038
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -445.729657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.729657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.812006 (E_RNA)
where:
Base-Base interactions energy: -326.779
where: short stacking energy: -126.976
Base-Backbone interact. energy: -0.438
local terms energy: -118.594661
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -29.271
Dist. restrs. and SS energy: 0.082 (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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -439.930069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.930069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.238786 (E_RNA)
where:
Base-Base interactions energy: -331.017
where: short stacking energy: -126.664
Base-Backbone interact. energy: 1.233
local terms energy: -110.455144
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -29.093
Dist. restrs. and SS energy: 0.309 (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: 360
Temperature: 1.350000
Total energy: -416.202106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.202106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.302829 (E_RNA)
where:
Base-Base interactions energy: -302.592
where: short stacking energy: -112.092
Base-Backbone interact. energy: -0.627
local terms energy: -113.083794
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -27.106
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.101 (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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -536.215766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.215766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.288148 (E_RNA)
where:
Base-Base interactions energy: -384.880
where: short stacking energy: -150.075
Base-Backbone interact. energy: 0.149
local terms energy: -151.556643
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -27.022
flat angles P-C4'-P energy: -24.131
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.072 (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: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -526.763045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.763045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.829155 (E_RNA)
where:
Base-Base interactions energy: -365.405
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.226
local terms energy: -161.198519
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -32.428
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -38.311
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -510.248788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.248788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.481397 (E_RNA)
where:
Base-Base interactions energy: -349.380
where: short stacking energy: -133.704
Base-Backbone interact. energy: -0.924
local terms energy: -160.177400
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -32.995
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -36.047
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -518.796102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.796102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.362472 (E_RNA)
where:
Base-Base interactions energy: -363.765
where: short stacking energy: -138.382
Base-Backbone interact. energy: -0.774
local terms energy: -154.823393
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -44.848
Dist. restrs. and SS energy: 0.566 (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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -478.464987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.464987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.746044 (E_RNA)
where:
Base-Base interactions energy: -345.051
where: short stacking energy: -141.880
Base-Backbone interact. energy: -0.495
local terms energy: -133.199954
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -39.633
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -479.659803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.659803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.255253 (E_RNA)
where:
Base-Base interactions energy: -333.492
where: short stacking energy: -140.696
Base-Backbone interact. energy: 0.754
local terms energy: -147.517672
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -40.444
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: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -460.719923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.719923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.913951 (E_RNA)
where:
Base-Base interactions energy: -333.410
where: short stacking energy: -129.267
Base-Backbone interact. energy: -0.637
local terms energy: -126.866535
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -29.817
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -449.437413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.437413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.661572 (E_RNA)
where:
Base-Base interactions energy: -338.604
where: short stacking energy: -124.716
Base-Backbone interact. energy: -0.955
local terms energy: -110.102319
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -25.487
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -447.887287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.887287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.041721 (E_RNA)
where:
Base-Base interactions energy: -320.812
where: short stacking energy: -122.880
Base-Backbone interact. energy: 1.236
local terms energy: -128.466252
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -33.772
Dist. restrs. and SS energy: 0.154 (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: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -413.196002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.196002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.857724 (E_RNA)
where:
Base-Base interactions energy: -298.114
where: short stacking energy: -110.601
Base-Backbone interact. energy: 0.670
local terms energy: -116.413500
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -531.114019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.114019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.216321 (E_RNA)
where:
Base-Base interactions energy: -371.877
where: short stacking energy: -156.587
Base-Backbone interact. energy: -1.259
local terms energy: -158.079866
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -41.464
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -531.049653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.049653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.076037 (E_RNA)
where:
Base-Base interactions energy: -375.034
where: short stacking energy: -158.242
Base-Backbone interact. energy: -0.744
local terms energy: -155.297108
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -43.166
Dist. restrs. and SS energy: 0.026 (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: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -518.797571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.797571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.900342 (E_RNA)
where:
Base-Base interactions energy: -367.835
where: short stacking energy: -152.820
Base-Backbone interact. energy: -1.650
local terms energy: -149.414879
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -37.987
Dist. restrs. and SS energy: 0.103 (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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -498.670575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.670575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.926788 (E_RNA)
where:
Base-Base interactions energy: -360.941
where: short stacking energy: -139.071
Base-Backbone interact. energy: -0.351
local terms energy: -137.634864
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -39.256
Dist. restrs. and SS energy: 0.256 (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: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -488.256727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.256727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.414004 (E_RNA)
where:
Base-Base interactions energy: -332.745
where: short stacking energy: -138.837
Base-Backbone interact. energy: -0.214
local terms energy: -155.455365
where:
bonds (distance) C4'-P energy: -26.995
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -24.070
tors. eta vs tors. theta energy: -40.984
Dist. restrs. and SS energy: 0.157 (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: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -478.043636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.043636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.300806 (E_RNA)
where:
Base-Base interactions energy: -337.965
where: short stacking energy: -143.634
Base-Backbone interact. energy: -0.670
local terms energy: -139.666257
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -29.071
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -37.598
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -452.719565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.719565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.364256 (E_RNA)
where:
Base-Base interactions energy: -326.921
where: short stacking energy: -125.991
Base-Backbone interact. energy: 0.344
local terms energy: -126.787700
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -27.827
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: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -457.341677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.341677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.766006 (E_RNA)
where:
Base-Base interactions energy: -326.157
where: short stacking energy: -129.493
Base-Backbone interact. energy: -0.344
local terms energy: -131.264587
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -21.088
tors. eta vs tors. theta energy: -34.341
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -429.494427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.494427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.736474 (E_RNA)
where:
Base-Base interactions energy: -299.054
where: short stacking energy: -120.657
Base-Backbone interact. energy: -0.948
local terms energy: -129.733918
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -28.559
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -30.448
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -445.608753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.608753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.854520 (E_RNA)
where:
Base-Base interactions energy: -324.733
where: short stacking energy: -117.771
Base-Backbone interact. energy: 3.091
local terms energy: -125.212090
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -27.755
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -35.423
Dist. restrs. and SS energy: 1.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -519.553308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.553308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.595852 (E_RNA)
where:
Base-Base interactions energy: -363.272
where: short stacking energy: -146.485
Base-Backbone interact. energy: -2.393
local terms energy: -153.930300
where:
bonds (distance) C4'-P energy: -26.509
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.043 (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: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -537.990734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.990734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.449131 (E_RNA)
where:
Base-Base interactions energy: -387.438
where: short stacking energy: -152.994
Base-Backbone interact. energy: -0.341
local terms energy: -150.670777
where:
bonds (distance) C4'-P energy: -22.285
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 0.458 (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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -513.034713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.034713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.396535 (E_RNA)
where:
Base-Base interactions energy: -353.943
where: short stacking energy: -144.667
Base-Backbone interact. energy: -3.757
local terms energy: -155.696358
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -40.503
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -491.885441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.885441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.339219 (E_RNA)
where:
Base-Base interactions energy: -355.341
where: short stacking energy: -133.906
Base-Backbone interact. energy: -0.572
local terms energy: -136.425588
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -30.126
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -30.713
Dist. restrs. and SS energy: 0.454 (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: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -499.776060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.776060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.189089 (E_RNA)
where:
Base-Base interactions energy: -354.182
where: short stacking energy: -147.490
Base-Backbone interact. energy: 0.331
local terms energy: -146.337752
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -39.098
Dist. restrs. and SS energy: 0.413 (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: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -457.567854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.567854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.700043 (E_RNA)
where:
Base-Base interactions energy: -334.169
where: short stacking energy: -126.708
Base-Backbone interact. energy: -0.834
local terms energy: -122.697121
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -474.232506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.232506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.279312 (E_RNA)
where:
Base-Base interactions energy: -335.055
where: short stacking energy: -131.194
Base-Backbone interact. energy: 0.254
local terms energy: -139.478167
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -35.840
Dist. restrs. and SS energy: 0.047 (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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -458.711588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.711588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.071825 (E_RNA)
where:
Base-Base interactions energy: -329.039
where: short stacking energy: -127.232
Base-Backbone interact. energy: -0.410
local terms energy: -129.623587
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -425.998584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.998584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.550654 (E_RNA)
where:
Base-Base interactions energy: -306.488
where: short stacking energy: -119.247
Base-Backbone interact. energy: -0.757
local terms energy: -119.305294
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.552 (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: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -433.645223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.645223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.143332 (E_RNA)
where:
Base-Base interactions energy: -313.451
where: short stacking energy: -122.404
Base-Backbone interact. energy: -0.191
local terms energy: -120.501363
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -17.551
tors. eta vs tors. theta energy: -26.801
Dist. restrs. and SS energy: 0.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -526.849822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.849822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.962263 (E_RNA)
where:
Base-Base interactions energy: -365.981
where: short stacking energy: -153.112
Base-Backbone interact. energy: -0.479
local terms energy: -160.502805
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -34.080
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -43.040
Dist. restrs. and SS energy: 0.112 (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: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -527.263242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.263242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.311090 (E_RNA)
where:
Base-Base interactions energy: -372.441
where: short stacking energy: -149.799
Base-Backbone interact. energy: -0.658
local terms energy: -154.211927
where:
bonds (distance) C4'-P energy: -34.055
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -32.269
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.048 (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: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -517.587350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.587350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.592261 (E_RNA)
where:
Base-Base interactions energy: -360.992
where: short stacking energy: -142.594
Base-Backbone interact. energy: 0.126
local terms energy: -156.725883
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -33.921
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -37.104
Dist. restrs. and SS energy: 0.005 (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: 364
Temperature: 1.050000
Total energy: -503.289713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.289713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.404516 (E_RNA)
where:
Base-Base interactions energy: -356.836
where: short stacking energy: -145.797
Base-Backbone interact. energy: 0.230
local terms energy: -146.798533
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -30.970
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -39.029
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -490.838146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.838146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.579047 (E_RNA)
where:
Base-Base interactions energy: -344.454
where: short stacking energy: -120.737
Base-Backbone interact. energy: -0.284
local terms energy: -146.840562
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -30.966
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -36.772
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: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -489.269890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.269890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.389939 (E_RNA)
where:
Base-Base interactions energy: -347.970
where: short stacking energy: -136.817
Base-Backbone interact. energy: 0.856
local terms energy: -142.276070
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -33.908
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -34.539
Dist. restrs. and SS energy: 0.120 (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: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -484.046005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.046005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.158444 (E_RNA)
where:
Base-Base interactions energy: -353.187
where: short stacking energy: -151.719
Base-Backbone interact. energy: -0.897
local terms energy: -130.074536
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -36.672
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -449.140716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.140716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.275888 (E_RNA)
where:
Base-Base interactions energy: -319.351
where: short stacking energy: -128.888
Base-Backbone interact. energy: 2.337
local terms energy: -132.261138
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -25.374
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -32.165
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -460.175206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.175206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.346181 (E_RNA)
where:
Base-Base interactions energy: -322.602
where: short stacking energy: -129.288
Base-Backbone interact. energy: -2.473
local terms energy: -135.271706
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -37.984
Dist. restrs. and SS energy: 0.171 (S_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: 364
Temperature: 1.350000
Total energy: -412.020316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.020316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.134041 (E_RNA)
where:
Base-Base interactions energy: -312.818
where: short stacking energy: -116.970
Base-Backbone interact. energy: 2.435
local terms energy: -101.751111
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -25.565
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -25.324
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -525.958199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.958199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.152415 (E_RNA)
where:
Base-Base interactions energy: -383.359
where: short stacking energy: -153.457
Base-Backbone interact. energy: -0.494
local terms energy: -142.299399
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -27.025
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -38.975
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -529.301557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.301557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.526746 (E_RNA)
where:
Base-Base interactions energy: -370.947
where: short stacking energy: -156.959
Base-Backbone interact. energy: -0.147
local terms energy: -158.433616
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -36.063
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -43.112
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -518.354063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.354063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.719364 (E_RNA)
where:
Base-Base interactions energy: -370.707
where: short stacking energy: -146.178
Base-Backbone interact. energy: -0.135
local terms energy: -147.877831
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -41.715
Dist. restrs. and SS energy: 0.365 (S_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: 365
Temperature: 1.050000
Total energy: -506.174603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.174603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.653577 (E_RNA)
where:
Base-Base interactions energy: -361.181
where: short stacking energy: -154.446
Base-Backbone interact. energy: -0.992
local terms energy: -144.480423
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -40.986
Dist. restrs. and SS energy: 0.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -473.092821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.092821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.163793 (E_RNA)
where:
Base-Base interactions energy: -343.224
where: short stacking energy: -130.399
Base-Backbone interact. energy: -0.128
local terms energy: -129.811631
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -27.996
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -28.770
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -492.011973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.011973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.351987 (E_RNA)
where:
Base-Base interactions energy: -348.951
where: short stacking energy: -147.391
Base-Backbone interact. energy: -0.274
local terms energy: -143.126930
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -31.528
flat angles P-C4'-P energy: -20.033
tors. eta vs tors. theta energy: -39.811
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -481.936008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.936008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.461016 (E_RNA)
where:
Base-Base interactions energy: -339.689
where: short stacking energy: -130.276
Base-Backbone interact. energy: -0.047
local terms energy: -142.725026
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -32.249
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -30.535
Dist. restrs. and SS energy: 0.525 (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: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -464.272206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.272206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.606601 (E_RNA)
where:
Base-Base interactions energy: -321.133
where: short stacking energy: -137.535
Base-Backbone interact. energy: -0.501
local terms energy: -142.972366
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -35.252
Dist. restrs. and SS energy: 0.334 (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: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -425.657248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.657248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.448054 (E_RNA)
where:
Base-Base interactions energy: -302.732
where: short stacking energy: -108.530
Base-Backbone interact. energy: 0.847
local terms energy: -124.563504
where:
bonds (distance) C4'-P energy: -24.323
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -30.633
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -422.507434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.507434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.099134 (E_RNA)
where:
Base-Base interactions energy: -299.429
where: short stacking energy: -121.249
Base-Backbone interact. energy: -0.078
local terms energy: -123.591841
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -23.062
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -25.823
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: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -521.470866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.470866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.614861 (E_RNA)
where:
Base-Base interactions energy: -366.255
where: short stacking energy: -141.171
Base-Backbone interact. energy: -1.186
local terms energy: -154.174158
where:
bonds (distance) C4'-P energy: -28.667
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -32.626
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.144 (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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -521.205056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.205056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.692947 (E_RNA)
where:
Base-Base interactions energy: -377.655
where: short stacking energy: -151.653
Base-Backbone interact. energy: -0.035
local terms energy: -144.002201
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -41.005
Dist. restrs. and SS energy: 0.488 (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: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -505.577957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.577957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.719358 (E_RNA)
where:
Base-Base interactions energy: -358.983
where: short stacking energy: -129.055
Base-Backbone interact. energy: -0.881
local terms energy: -145.855383
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.141 (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: 366
Temperature: 1.050000
Total energy: -499.290272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.290272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.502645 (E_RNA)
where:
Base-Base interactions energy: -353.840
where: short stacking energy: -134.922
Base-Backbone interact. energy: -0.815
local terms energy: -144.847258
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -35.431
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. 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: -492.219177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.219177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.420031 (E_RNA)
where:
Base-Base interactions energy: -342.275
where: short stacking energy: -137.595
Base-Backbone interact. energy: -0.492
local terms energy: -149.652479
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -32.792
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -30.563
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -477.419473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.419473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.756225 (E_RNA)
where:
Base-Base interactions energy: -337.768
where: short stacking energy: -126.834
Base-Backbone interact. energy: -1.209
local terms energy: -138.779335
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -29.901
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: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -454.825931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.825931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.034748 (E_RNA)
where:
Base-Base interactions energy: -317.453
where: short stacking energy: -120.728
Base-Backbone interact. energy: 3.983
local terms energy: -141.564441
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -25.830
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -28.725
Dist. restrs. and SS energy: 0.209 (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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -472.348453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.348453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.547139 (E_RNA)
where:
Base-Base interactions energy: -328.556
where: short stacking energy: -134.944
Base-Backbone interact. energy: -0.070
local terms energy: -143.921171
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.199 (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: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -415.987742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.987742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.414671 (E_RNA)
where:
Base-Base interactions energy: -288.985
where: short stacking energy: -114.224
Base-Backbone interact. energy: -0.644
local terms energy: -126.785395
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -30.261
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -420.719854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.719854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.391349 (E_RNA)
where:
Base-Base interactions energy: -317.701
where: short stacking energy: -117.199
Base-Backbone interact. energy: -0.476
local terms energy: -103.215229
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -26.145
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -534.892049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.892049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.095289 (E_RNA)
where:
Base-Base interactions energy: -376.177
where: short stacking energy: -153.339
Base-Backbone interact. energy: -0.410
local terms energy: -158.507922
where:
bonds (distance) C4'-P energy: -28.570
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -21.816
tors. eta vs tors. theta energy: -39.426
Dist. restrs. and SS energy: 0.203 (S_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: 367
Temperature: 0.950000
Total energy: -525.985489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.985489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.072478 (E_RNA)
where:
Base-Base interactions energy: -372.709
where: short stacking energy: -155.545
Base-Backbone interact. energy: -0.342
local terms energy: -153.021743
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -36.890
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -504.737369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.737369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.840606 (E_RNA)
where:
Base-Base interactions energy: -364.934
where: short stacking energy: -137.354
Base-Backbone interact. energy: 0.160
local terms energy: -140.066089
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -35.589
Dist. restrs. and SS energy: 0.103 (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: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -508.287327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.287327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.432039 (E_RNA)
where:
Base-Base interactions energy: -355.801
where: short stacking energy: -157.023
Base-Backbone interact. energy: -0.107
local terms energy: -152.524097
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -42.631
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -476.862955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.862955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.266326 (E_RNA)
where:
Base-Base interactions energy: -343.630
where: short stacking energy: -139.182
Base-Backbone interact. energy: -1.443
local terms energy: -132.193862
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -35.772
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -471.172983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.172983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.431571 (E_RNA)
where:
Base-Base interactions energy: -336.658
where: short stacking energy: -132.218
Base-Backbone interact. energy: -0.611
local terms energy: -134.162906
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -461.212962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.212962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.539226 (E_RNA)
where:
Base-Base interactions energy: -348.401
where: short stacking energy: -136.374
Base-Backbone interact. energy: -0.596
local terms energy: -112.542150
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -37.434
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -491.558040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.558040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.902554 (E_RNA)
where:
Base-Base interactions energy: -353.850
where: short stacking energy: -143.767
Base-Backbone interact. energy: 0.573
local terms energy: -138.624686
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -35.536
Dist. restrs. and SS energy: 0.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -410.566218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.566218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.202544 (E_RNA)
where:
Base-Base interactions energy: -299.924
where: short stacking energy: -110.233
Base-Backbone interact. energy: 2.769
local terms energy: -117.047558
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -28.155
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -22.146
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: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -444.526467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.526467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.647823 (E_RNA)
where:
Base-Base interactions energy: -320.445
where: short stacking energy: -128.205
Base-Backbone interact. energy: -0.303
local terms energy: -123.900732
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -29.674
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -532.395695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.395695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.582700 (E_RNA)
where:
Base-Base interactions energy: -379.029
where: short stacking energy: -153.670
Base-Backbone interact. energy: -0.585
local terms energy: -152.968030
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -37.873
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -527.544955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.544955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.089555 (E_RNA)
where:
Base-Base interactions energy: -378.226
where: short stacking energy: -152.426
Base-Backbone interact. energy: -0.220
local terms energy: -149.644219
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -30.930
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -37.247
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -520.205310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.205310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.280647 (E_RNA)
where:
Base-Base interactions energy: -369.829
where: short stacking energy: -154.229
Base-Backbone interact. energy: 1.625
local terms energy: -152.076437
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -32.031
flat angles C4'-P-C4' energy: -33.186
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -39.969
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -515.785042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.785042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.087636 (E_RNA)
where:
Base-Base interactions energy: -367.714
where: short stacking energy: -154.261
Base-Backbone interact. energy: 0.248
local terms energy: -148.621185
where:
bonds (distance) C4'-P energy: -27.389
bonds (distance) P-C4' energy: -26.559
flat angles C4'-P-C4' energy: -34.625
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -39.095
Dist. restrs. and SS energy: 0.303 (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: 368
Temperature: 1.100000
Total energy: -487.110033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.110033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.255544 (E_RNA)
where:
Base-Base interactions energy: -338.396
where: short stacking energy: -131.537
Base-Backbone interact. energy: -0.450
local terms energy: -148.409773
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -465.508232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.508232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.106388 (E_RNA)
where:
Base-Base interactions energy: -331.314
where: short stacking energy: -139.833
Base-Backbone interact. energy: -0.546
local terms energy: -134.245704
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -33.347
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -461.531326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.531326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.798819 (E_RNA)
where:
Base-Base interactions energy: -333.967
where: short stacking energy: -124.110
Base-Backbone interact. energy: 1.262
local terms energy: -129.094281
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -31.990
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -455.086581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.086581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.415618 (E_RNA)
where:
Base-Base interactions energy: -329.433
where: short stacking energy: -128.435
Base-Backbone interact. energy: -0.196
local terms energy: -125.786574
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -38.298
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -450.836668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.836668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.044760 (E_RNA)
where:
Base-Base interactions energy: -322.773
where: short stacking energy: -125.049
Base-Backbone interact. energy: 0.837
local terms energy: -129.108639
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -39.195
Dist. restrs. and SS energy: 0.208 (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: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -415.027352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.027352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.501199 (E_RNA)
where:
Base-Base interactions energy: -291.159
where: short stacking energy: -107.918
Base-Backbone interact. energy: -1.275
local terms energy: -123.067078
where:
bonds (distance) C4'-P energy: -24.930
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -540.175989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.175989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.404742 (E_RNA)
where:
Base-Base interactions energy: -382.136
where: short stacking energy: -150.044
Base-Backbone interact. energy: -0.414
local terms energy: -157.855127
where:
bonds (distance) C4'-P energy: -31.068
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -23.907
tors. eta vs tors. theta energy: -39.763
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -514.505776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.505776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.807933 (E_RNA)
where:
Base-Base interactions energy: -361.093
where: short stacking energy: -141.571
Base-Backbone interact. energy: -0.240
local terms energy: -153.474051
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -34.789
flat angles C4'-P-C4' energy: -32.145
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.302 (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: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -506.991168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.991168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.253312 (E_RNA)
where:
Base-Base interactions energy: -360.375
where: short stacking energy: -143.655
Base-Backbone interact. energy: -0.301
local terms energy: -146.576938
where:
bonds (distance) C4'-P energy: -30.695
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -26.845
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -44.853
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -504.962743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.962743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.324457 (E_RNA)
where:
Base-Base interactions energy: -363.552
where: short stacking energy: -137.941
Base-Backbone interact. energy: -0.433
local terms energy: -141.339786
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -35.590
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -497.482989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.482989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.716416 (E_RNA)
where:
Base-Base interactions energy: -345.566
where: short stacking energy: -152.388
Base-Backbone interact. energy: 0.436
local terms energy: -152.586063
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -35.405
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: -42.012
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -491.326075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.326075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.489618 (E_RNA)
where:
Base-Base interactions energy: -349.693
where: short stacking energy: -143.868
Base-Backbone interact. energy: 0.196
local terms energy: -141.993114
where:
bonds (distance) C4'-P energy: -30.124
bonds (distance) P-C4' energy: -26.567
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -37.761
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -464.253979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.253979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.401338 (E_RNA)
where:
Base-Base interactions energy: -324.738
where: short stacking energy: -112.544
Base-Backbone interact. energy: -0.537
local terms energy: -139.126112
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -26.243
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -445.497850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.497850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.004226 (E_RNA)
where:
Base-Base interactions energy: -308.095
where: short stacking energy: -115.329
Base-Backbone interact. energy: -0.777
local terms energy: -137.132481
where:
bonds (distance) C4'-P energy: -27.648
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -31.557
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -28.664
Dist. restrs. and SS energy: 0.506 (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: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -442.215615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.215615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.517877 (E_RNA)
where:
Base-Base interactions energy: -322.596
where: short stacking energy: -122.383
Base-Backbone interact. energy: -0.960
local terms energy: -118.962357
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -32.271
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -418.110246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.110246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.168721 (E_RNA)
where:
Base-Base interactions energy: -303.751
where: short stacking energy: -120.312
Base-Backbone interact. energy: -1.684
local terms energy: -118.734102
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -28.953
Dist. restrs. and SS energy: 6.058 (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: 370
Temperature: 0.900000
Total energy: -534.333994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.333994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.553824 (E_RNA)
where:
Base-Base interactions energy: -378.457
where: short stacking energy: -159.101
Base-Backbone interact. energy: 0.215
local terms energy: -156.312123
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -31.861
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -41.528
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -527.503543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.503543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.900085 (E_RNA)
where:
Base-Base interactions energy: -372.012
where: short stacking energy: -146.425
Base-Backbone interact. energy: -0.285
local terms energy: -155.603318
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -26.871
tors. eta vs tors. theta energy: -39.277
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: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -513.722263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.722263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.900671 (E_RNA)
where:
Base-Base interactions energy: -362.451
where: short stacking energy: -144.162
Base-Backbone interact. energy: -0.620
local terms energy: -150.830220
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -32.875
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -38.139
Dist. restrs. and SS energy: 0.178 (S_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: 370
Temperature: 1.050000
Total energy: -509.706902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.706902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.027916 (E_RNA)
where:
Base-Base interactions energy: -361.251
where: short stacking energy: -141.291
Base-Backbone interact. energy: -0.929
local terms energy: -147.847874
where:
bonds (distance) C4'-P energy: -27.998
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -33.848
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.321 (S_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: 370
Temperature: 1.100000
Total energy: -490.807929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.807929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.891020 (E_RNA)
where:
Base-Base interactions energy: -339.661
where: short stacking energy: -139.087
Base-Backbone interact. energy: 0.640
local terms energy: -151.870531
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -34.710
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -35.300
Dist. restrs. and SS energy: 0.083 (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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -482.798118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.798118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.254918 (E_RNA)
where:
Base-Base interactions energy: -351.311
where: short stacking energy: -149.147
Base-Backbone interact. energy: -0.593
local terms energy: -131.351095
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -33.389
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -454.339184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.339184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.488278 (E_RNA)
where:
Base-Base interactions energy: -325.557
where: short stacking energy: -120.543
Base-Backbone interact. energy: -1.272
local terms energy: -127.659089
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -29.649
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -449.253404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.253404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.679529 (E_RNA)
where:
Base-Base interactions energy: -322.404
where: short stacking energy: -131.837
Base-Backbone interact. energy: 0.659
local terms energy: -127.933936
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -446.962568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.962568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.490479 (E_RNA)
where:
Base-Base interactions energy: -317.012
where: short stacking energy: -117.883
Base-Backbone interact. energy: -0.794
local terms energy: -129.684716
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -34.247
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -30.654
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -415.867690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.867690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.062468 (E_RNA)
where:
Base-Base interactions energy: -295.350
where: short stacking energy: -108.929
Base-Backbone interact. energy: -0.616
local terms energy: -123.096647
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -31.805
flat angles C4'-P-C4' energy: -27.371
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -538.461517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.461517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.592779 (E_RNA)
where:
Base-Base interactions energy: -383.339
where: short stacking energy: -164.161
Base-Backbone interact. energy: -0.711
local terms energy: -154.542396
where:
bonds (distance) C4'-P energy: -29.632
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -36.005
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -35.824
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -526.226309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.226309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.226309 (E_RNA)
where:
Base-Base interactions energy: -372.140
where: short stacking energy: -157.292
Base-Backbone interact. energy: -0.565
local terms energy: -153.521377
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -27.320
flat angles C4'-P-C4' energy: -33.078
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -45.142
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -516.406944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.406944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.673497 (E_RNA)
where:
Base-Base interactions energy: -363.566
where: short stacking energy: -151.564
Base-Backbone interact. energy: -0.602
local terms energy: -152.505099
where:
bonds (distance) C4'-P energy: -32.167
bonds (distance) P-C4' energy: -27.157
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -505.126503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.126503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.393460 (E_RNA)
where:
Base-Base interactions energy: -352.888
where: short stacking energy: -136.415
Base-Backbone interact. energy: 0.495
local terms energy: -152.999783
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -34.747
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -38.601
Dist. restrs. and SS energy: 0.267 (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: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -494.695912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.695912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.917777 (E_RNA)
where:
Base-Base interactions energy: -340.311
where: short stacking energy: -140.603
Base-Backbone interact. energy: -0.528
local terms energy: -154.078821
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -37.237
Dist. restrs. and SS energy: 0.222 (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: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -473.278423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.278423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.414344 (E_RNA)
where:
Base-Base interactions energy: -342.518
where: short stacking energy: -140.531
Base-Backbone interact. energy: 0.018
local terms energy: -130.913929
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -34.781
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -481.007280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.007280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.104138 (E_RNA)
where:
Base-Base interactions energy: -343.162
where: short stacking energy: -135.120
Base-Backbone interact. energy: -0.495
local terms energy: -137.447132
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -30.814
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -34.804
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -469.545614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.545614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.341506 (E_RNA)
where:
Base-Base interactions energy: -340.900
where: short stacking energy: -139.389
Base-Backbone interact. energy: 0.070
local terms energy: -129.511555
where:
bonds (distance) C4'-P energy: -25.732
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -28.466
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -34.086
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: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -425.998558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.998558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.022736 (E_RNA)
where:
Base-Base interactions energy: -300.597
where: short stacking energy: -114.722
Base-Backbone interact. energy: -0.880
local terms energy: -125.545687
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -33.260
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: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -391.605655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.605655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.169927 (E_RNA)
where:
Base-Base interactions energy: -283.436
where: short stacking energy: -100.569
Base-Backbone interact. energy: -1.120
local terms energy: -114.614080
where:
bonds (distance) C4'-P energy: -22.072
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 7.564 (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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -531.014281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.014281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.135318 (E_RNA)
where:
Base-Base interactions energy: -375.715
where: short stacking energy: -149.108
Base-Backbone interact. energy: 0.051
local terms energy: -155.470904
where:
bonds (distance) C4'-P energy: -32.707
bonds (distance) P-C4' energy: -31.238
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -36.212
Dist. restrs. and SS energy: 0.121 (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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -522.426974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.426974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.519875 (E_RNA)
where:
Base-Base interactions energy: -372.216
where: short stacking energy: -153.786
Base-Backbone interact. energy: -0.496
local terms energy: -149.808121
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -39.099
Dist. restrs. and SS energy: 0.093 (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: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -517.823898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.823898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.982526 (E_RNA)
where:
Base-Base interactions energy: -362.449
where: short stacking energy: -148.210
Base-Backbone interact. energy: 3.474
local terms energy: -159.008367
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -41.677
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -497.810450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.810450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.904897 (E_RNA)
where:
Base-Base interactions energy: -356.855
where: short stacking energy: -141.386
Base-Backbone interact. energy: -0.484
local terms energy: -140.565660
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -40.536
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -490.506080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.506080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.827574 (E_RNA)
where:
Base-Base interactions energy: -345.992
where: short stacking energy: -130.876
Base-Backbone interact. energy: 0.393
local terms energy: -145.228345
where:
bonds (distance) C4'-P energy: -26.321
bonds (distance) P-C4' energy: -31.407
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -491.547452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.547452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.653158 (E_RNA)
where:
Base-Base interactions energy: -336.668
where: short stacking energy: -132.200
Base-Backbone interact. energy: -1.485
local terms energy: -153.499726
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -37.305
Dist. restrs. and SS energy: 0.106 (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: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -476.469987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.469987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.810902 (E_RNA)
where:
Base-Base interactions energy: -333.420
where: short stacking energy: -131.622
Base-Backbone interact. energy: -0.171
local terms energy: -143.220532
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -32.926
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -34.589
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -457.780991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.780991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.906984 (E_RNA)
where:
Base-Base interactions energy: -328.133
where: short stacking energy: -126.395
Base-Backbone interact. energy: 0.833
local terms energy: -130.606616
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -29.562
Dist. restrs. and SS energy: 0.126 (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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -412.276837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.276837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.815170 (E_RNA)
where:
Base-Base interactions energy: -299.895
where: short stacking energy: -113.796
Base-Backbone interact. energy: -0.332
local terms energy: -116.587887
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -27.751
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -22.939
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: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -427.552881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.552881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.718274 (E_RNA)
where:
Base-Base interactions energy: -314.873
where: short stacking energy: -122.954
Base-Backbone interact. energy: 1.120
local terms energy: -113.964967
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -26.529
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -28.031
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -530.547315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.547315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.814096 (E_RNA)
where:
Base-Base interactions energy: -374.174
where: short stacking energy: -160.684
Base-Backbone interact. energy: -0.491
local terms energy: -156.149681
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -40.368
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -527.239842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.239842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.354262 (E_RNA)
where:
Base-Base interactions energy: -371.635
where: short stacking energy: -147.427
Base-Backbone interact. energy: -0.356
local terms energy: -155.362662
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -37.920
Dist. restrs. and SS energy: 0.114 (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: 373
Temperature: 1.000000
Total energy: -508.411344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.411344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.557250 (E_RNA)
where:
Base-Base interactions energy: -359.552
where: short stacking energy: -146.968
Base-Backbone interact. energy: 0.083
local terms energy: -149.088418
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -34.680
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -498.703582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.703582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.992740 (E_RNA)
where:
Base-Base interactions energy: -357.315
where: short stacking energy: -144.698
Base-Backbone interact. energy: 0.809
local terms energy: -142.486904
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -38.798
Dist. restrs. and SS energy: 0.289 (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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -476.355351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.355351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.984439 (E_RNA)
where:
Base-Base interactions energy: -341.161
where: short stacking energy: -136.277
Base-Backbone interact. energy: 2.157
local terms energy: -137.980953
where:
bonds (distance) C4'-P energy: -23.824
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -17.767
tors. eta vs tors. theta energy: -34.530
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -481.572954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.572954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.635841 (E_RNA)
where:
Base-Base interactions energy: -326.983
where: short stacking energy: -129.066
Base-Backbone interact. energy: -0.835
local terms energy: -153.818073
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -34.998
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -476.712696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.712696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.848506 (E_RNA)
where:
Base-Base interactions energy: -324.905
where: short stacking energy: -126.044
Base-Backbone interact. energy: -0.516
local terms energy: -151.427012
where:
bonds (distance) C4'-P energy: -26.773
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: -30.392
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -425.767214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.767214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.036220 (E_RNA)
where:
Base-Base interactions energy: -311.506
where: short stacking energy: -122.787
Base-Backbone interact. energy: -0.613
local terms energy: -113.917234
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -434.155588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.155588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.197910 (E_RNA)
where:
Base-Base interactions energy: -328.741
where: short stacking energy: -120.431
Base-Backbone interact. energy: 0.675
local terms energy: -106.132207
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -427.282201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.282201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.718067 (E_RNA)
where:
Base-Base interactions energy: -297.116
where: short stacking energy: -104.560
Base-Backbone interact. energy: -0.708
local terms energy: -129.894595
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.436 (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: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -524.633787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.633787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.633787 (E_RNA)
where:
Base-Base interactions energy: -371.382
where: short stacking energy: -153.187
Base-Backbone interact. energy: -0.800
local terms energy: -152.452007
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -37.097
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -41.167
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -519.529132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.529132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.713105 (E_RNA)
where:
Base-Base interactions energy: -367.015
where: short stacking energy: -150.578
Base-Backbone interact. energy: -0.487
local terms energy: -152.211084
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -41.761
Dist. restrs. and SS energy: 0.184 (S_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: 374
Temperature: 1.000000
Total energy: -512.171753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.171753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.392316 (E_RNA)
where:
Base-Base interactions energy: -362.755
where: short stacking energy: -143.253
Base-Backbone interact. energy: -0.346
local terms energy: -149.291325
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -39.408
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -496.721719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.721719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.799587 (E_RNA)
where:
Base-Base interactions energy: -344.599
where: short stacking energy: -144.562
Base-Backbone interact. energy: -0.276
local terms energy: -151.924457
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -26.345
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.078 (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: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -497.963908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.963908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.156521 (E_RNA)
where:
Base-Base interactions energy: -357.269
where: short stacking energy: -142.287
Base-Backbone interact. energy: -0.106
local terms energy: -140.782289
where:
bonds (distance) C4'-P energy: -31.057
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -35.923
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -480.575214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.575214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.704863 (E_RNA)
where:
Base-Base interactions energy: -332.455
where: short stacking energy: -137.618
Base-Backbone interact. energy: -0.907
local terms energy: -147.343198
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -35.896
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -35.587
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -467.107384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.107384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.529994 (E_RNA)
where:
Base-Base interactions energy: -336.313
where: short stacking energy: -133.581
Base-Backbone interact. energy: -0.749
local terms energy: -130.468672
where:
bonds (distance) C4'-P energy: -24.231
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -32.094
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -421.868423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.868423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.519825 (E_RNA)
where:
Base-Base interactions energy: -299.188
where: short stacking energy: -117.415
Base-Backbone interact. energy: 0.224
local terms energy: -123.555468
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -29.690
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -432.415573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.415573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.680807 (E_RNA)
where:
Base-Base interactions energy: -304.969
where: short stacking energy: -123.402
Base-Backbone interact. energy: -0.403
local terms energy: -127.308702
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -398.618261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.618261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.420949 (E_RNA)
where:
Base-Base interactions energy: -294.808
where: short stacking energy: -113.845
Base-Backbone interact. energy: -0.440
local terms energy: -104.173137
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -24.489
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -32.216
Dist. restrs. and SS energy: 0.803 (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: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -532.419968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.419968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.708528 (E_RNA)
where:
Base-Base interactions energy: -370.494
where: short stacking energy: -150.396
Base-Backbone interact. energy: -0.305
local terms energy: -161.909792
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -40.761
Dist. restrs. and SS energy: 0.289 (S_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: 375
Temperature: 0.950000
Total energy: -514.827296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.827296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.993050 (E_RNA)
where:
Base-Base interactions energy: -363.693
where: short stacking energy: -144.284
Base-Backbone interact. energy: 0.258
local terms energy: -151.557719
where:
bonds (distance) C4'-P energy: -23.439
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -519.792854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.792854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.889924 (E_RNA)
where:
Base-Base interactions energy: -367.140
where: short stacking energy: -157.672
Base-Backbone interact. energy: 2.305
local terms energy: -155.054948
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -40.050
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -508.624247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.624247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.009645 (E_RNA)
where:
Base-Base interactions energy: -363.781
where: short stacking energy: -146.974
Base-Backbone interact. energy: -0.485
local terms energy: -144.744326
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -38.854
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -472.869498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.869498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.379374 (E_RNA)
where:
Base-Base interactions energy: -337.065
where: short stacking energy: -136.624
Base-Backbone interact. energy: 2.023
local terms energy: -138.336933
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -38.056
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: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -473.000715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.000715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.527707 (E_RNA)
where:
Base-Base interactions energy: -336.483
where: short stacking energy: -132.188
Base-Backbone interact. energy: 0.400
local terms energy: -137.444143
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.527 (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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -460.224645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.224645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.387256 (E_RNA)
where:
Base-Base interactions energy: -329.997
where: short stacking energy: -131.735
Base-Backbone interact. energy: -0.301
local terms energy: -130.089499
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -30.391
Dist. restrs. and SS energy: 0.163 (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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -448.009821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.009821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.162638 (E_RNA)
where:
Base-Base interactions energy: -319.783
where: short stacking energy: -127.446
Base-Backbone interact. energy: -0.653
local terms energy: -127.726096
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -30.041
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.153 (S_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: -422.078203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.078203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.341924 (E_RNA)
where:
Base-Base interactions energy: -302.261
where: short stacking energy: -119.232
Base-Backbone interact. energy: -0.790
local terms energy: -119.290228
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -26.002
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -400.997455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.997455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.816533 (E_RNA)
where:
Base-Base interactions energy: -294.675
where: short stacking energy: -111.766
Base-Backbone interact. energy: -0.094
local terms energy: -107.047113
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -24.220
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: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -523.523048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.523048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.559498 (E_RNA)
where:
Base-Base interactions energy: -370.680
where: short stacking energy: -154.321
Base-Backbone interact. energy: 0.227
local terms energy: -153.106127
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -31.868
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -39.454
Dist. restrs. and SS energy: 0.036 (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: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -528.443995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.443995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.450087 (E_RNA)
where:
Base-Base interactions energy: -368.254
where: short stacking energy: -146.593
Base-Backbone interact. energy: -1.988
local terms energy: -158.208007
where:
bonds (distance) C4'-P energy: -27.055
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -41.054
Dist. restrs. and SS energy: 0.006 (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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -522.714847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.714847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.862289 (E_RNA)
where:
Base-Base interactions energy: -366.734
where: short stacking energy: -147.619
Base-Backbone interact. energy: -0.597
local terms energy: -155.531282
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -40.897
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -510.517832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.517832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.345479 (E_RNA)
where:
Base-Base interactions energy: -355.568
where: short stacking energy: -144.750
Base-Backbone interact. energy: -2.828
local terms energy: -152.949202
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -41.669
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: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -472.847732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.847732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.997393 (E_RNA)
where:
Base-Base interactions energy: -330.625
where: short stacking energy: -134.100
Base-Backbone interact. energy: -0.155
local terms energy: -142.217424
where:
bonds (distance) C4'-P energy: -27.327
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -35.651
Dist. restrs. and SS energy: 0.150 (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: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -469.620374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.620374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.915780 (E_RNA)
where:
Base-Base interactions energy: -334.390
where: short stacking energy: -141.292
Base-Backbone interact. energy: -0.979
local terms energy: -134.546763
where:
bonds (distance) C4'-P energy: -28.341
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -449.047481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.047481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.473066 (E_RNA)
where:
Base-Base interactions energy: -316.780
where: short stacking energy: -123.863
Base-Backbone interact. energy: -0.902
local terms energy: -131.790605
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -31.604
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -459.667560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.667560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.931678 (E_RNA)
where:
Base-Base interactions energy: -319.890
where: short stacking energy: -126.413
Base-Backbone interact. energy: -0.370
local terms energy: -139.671538
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -415.049834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.049834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.202168 (E_RNA)
where:
Base-Base interactions energy: -313.236
where: short stacking energy: -122.077
Base-Backbone interact. energy: -0.127
local terms energy: -101.838520
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -23.332
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -25.485
Dist. restrs. and SS energy: 0.152 (S_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: 376
Temperature: 1.350000
Total energy: -414.932242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.932242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.761843 (E_RNA)
where:
Base-Base interactions energy: -315.879
where: short stacking energy: -117.526
Base-Backbone interact. energy: 0.404
local terms energy: -100.286997
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -29.590
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: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -524.519586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.519586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.725021 (E_RNA)
where:
Base-Base interactions energy: -361.896
where: short stacking energy: -159.362
Base-Backbone interact. energy: -1.550
local terms energy: -161.278667
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -29.258
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -42.667
Dist. restrs. and SS energy: 0.205 (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: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -514.559866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.559866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.760150 (E_RNA)
where:
Base-Base interactions energy: -362.847
where: short stacking energy: -149.451
Base-Backbone interact. energy: -1.314
local terms energy: -150.599250
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -32.687
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -516.985505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.985505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.155343 (E_RNA)
where:
Base-Base interactions energy: -371.691
where: short stacking energy: -150.284
Base-Backbone interact. energy: -0.310
local terms energy: -145.154137
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -32.824
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -494.350282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.350282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.447564 (E_RNA)
where:
Base-Base interactions energy: -346.125
where: short stacking energy: -143.386
Base-Backbone interact. energy: -0.644
local terms energy: -147.678201
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -27.445
flat angles C4'-P-C4' energy: -29.911
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -35.113
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -481.484287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.484287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.546302 (E_RNA)
where:
Base-Base interactions energy: -340.682
where: short stacking energy: -133.979
Base-Backbone interact. energy: 1.605
local terms energy: -142.469453
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -36.176
Dist. restrs. and SS energy: 0.062 (S_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: 377
Temperature: 1.150000
Total energy: -473.826052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.826052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.913049 (E_RNA)
where:
Base-Base interactions energy: -334.324
where: short stacking energy: -126.406
Base-Backbone interact. energy: 0.639
local terms energy: -140.228474
where:
bonds (distance) C4'-P energy: -28.491
bonds (distance) P-C4' energy: -31.001
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -33.143
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -463.372165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.372165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.095170 (E_RNA)
where:
Base-Base interactions energy: -325.736
where: short stacking energy: -122.342
Base-Backbone interact. energy: 1.146
local terms energy: -139.504972
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -35.643
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -455.875380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.875380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.104613 (E_RNA)
where:
Base-Base interactions energy: -336.506
where: short stacking energy: -133.949
Base-Backbone interact. energy: -0.820
local terms energy: -118.778246
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -30.740
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -410.971161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.971161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.055088 (E_RNA)
where:
Base-Base interactions energy: -296.914
where: short stacking energy: -113.007
Base-Backbone interact. energy: 1.041
local terms energy: -115.182044
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: -24.421
Dist. restrs. and SS energy: 0.084 (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: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -415.373965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.373965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.688415 (E_RNA)
where:
Base-Base interactions energy: -293.270
where: short stacking energy: -113.863
Base-Backbone interact. energy: -0.044
local terms energy: -122.373881
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -29.860
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -18.673
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -531.715174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.715174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.882888 (E_RNA)
where:
Base-Base interactions energy: -376.721
where: short stacking energy: -159.125
Base-Backbone interact. energy: -0.413
local terms energy: -154.749300
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -25.400
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -44.404
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -519.815320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.815320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.894804 (E_RNA)
where:
Base-Base interactions energy: -370.535
where: short stacking energy: -148.781
Base-Backbone interact. energy: -0.457
local terms energy: -148.902352
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -34.118
flat angles P-C4'-P energy: -25.939
tors. eta vs tors. theta energy: -43.025
Dist. restrs. and SS energy: 0.079 (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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -502.805656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.805656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.976523 (E_RNA)
where:
Base-Base interactions energy: -359.899
where: short stacking energy: -141.447
Base-Backbone interact. energy: -0.155
local terms energy: -142.922180
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -30.791
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -35.321
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -504.775184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.775184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.980438 (E_RNA)
where:
Base-Base interactions energy: -355.890
where: short stacking energy: -136.000
Base-Backbone interact. energy: -1.022
local terms energy: -148.067883
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -36.724
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -485.129040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.129040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.589682 (E_RNA)
where:
Base-Base interactions energy: -353.041
where: short stacking energy: -148.323
Base-Backbone interact. energy: 1.331
local terms energy: -133.879724
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -38.159
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -494.128585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.128585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.330345 (E_RNA)
where:
Base-Base interactions energy: -354.984
where: short stacking energy: -143.397
Base-Backbone interact. energy: -0.501
local terms energy: -138.845179
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -38.544
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -463.789982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.789982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.892601 (E_RNA)
where:
Base-Base interactions energy: -340.521
where: short stacking energy: -137.234
Base-Backbone interact. energy: 0.047
local terms energy: -125.418107
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -28.813
Dist. restrs. and SS energy: 2.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -461.188931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.188931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.696046 (E_RNA)
where:
Base-Base interactions energy: -328.194
where: short stacking energy: -131.552
Base-Backbone interact. energy: -0.402
local terms energy: -133.099696
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -32.761
Dist. restrs. and SS energy: 0.507 (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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -412.003442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.003442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.507881 (E_RNA)
where:
Base-Base interactions energy: -288.359
where: short stacking energy: -114.275
Base-Backbone interact. energy: 0.083
local terms energy: -124.231885
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.504 (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: 378
Temperature: 1.350000
Total energy: -426.818211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.818211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.513336 (E_RNA)
where:
Base-Base interactions energy: -306.754
where: short stacking energy: -121.256
Base-Backbone interact. energy: -0.004
local terms energy: -120.755164
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -30.646
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -535.054071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.054071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.159697 (E_RNA)
where:
Base-Base interactions energy: -372.796
where: short stacking energy: -155.012
Base-Backbone interact. energy: -0.765
local terms energy: -161.599251
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -40.559
Dist. restrs. and SS energy: 0.106 (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: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -513.551586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.551586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.839441 (E_RNA)
where:
Base-Base interactions energy: -367.914
where: short stacking energy: -161.327
Base-Backbone interact. energy: -0.343
local terms energy: -145.582312
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -31.626
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -39.023
Dist. restrs. and SS energy: 0.288 (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: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -505.337093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.337093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.488125 (E_RNA)
where:
Base-Base interactions energy: -363.502
where: short stacking energy: -141.554
Base-Backbone interact. energy: -0.401
local terms energy: -141.585055
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -25.392
flat angles C4'-P-C4' energy: -33.613
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.151 (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: 379
Temperature: 1.050000
Total energy: -503.595776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.595776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.644542 (E_RNA)
where:
Base-Base interactions energy: -353.552
where: short stacking energy: -143.130
Base-Backbone interact. energy: 0.641
local terms energy: -150.733423
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -41.409
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -482.321421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.321421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.533268 (E_RNA)
where:
Base-Base interactions energy: -344.510
where: short stacking energy: -136.327
Base-Backbone interact. energy: 0.510
local terms energy: -138.533269
where:
bonds (distance) C4'-P energy: -24.936
bonds (distance) P-C4' energy: -34.954
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -30.281
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -480.538959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.538959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.849887 (E_RNA)
where:
Base-Base interactions energy: -342.199
where: short stacking energy: -132.695
Base-Backbone interact. energy: -0.862
local terms energy: -137.789197
where:
bonds (distance) C4'-P energy: -28.517
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -21.916
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -462.742246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.742246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.868532 (E_RNA)
where:
Base-Base interactions energy: -339.562
where: short stacking energy: -134.245
Base-Backbone interact. energy: -0.219
local terms energy: -123.087425
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.126 (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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -418.430373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.430373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.171051 (E_RNA)
where:
Base-Base interactions energy: -305.592
where: short stacking energy: -130.343
Base-Backbone interact. energy: 2.316
local terms energy: -115.895351
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -31.867
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: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -438.048764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.048764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.350084 (E_RNA)
where:
Base-Base interactions energy: -315.141
where: short stacking energy: -126.806
Base-Backbone interact. energy: -0.231
local terms energy: -122.978116
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -28.550
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -39.104
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. 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: -432.461860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.780668 (E_RNA)
where:
Base-Base interactions energy: -316.184
where: short stacking energy: -123.024
Base-Backbone interact. energy: -0.934
local terms energy: -115.661906
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -27.387
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -27.533
Dist. restrs. and SS energy: 0.319 (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: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -530.061278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.061278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.203351 (E_RNA)
where:
Base-Base interactions energy: -369.751
where: short stacking energy: -150.159
Base-Backbone interact. energy: -0.318
local terms energy: -160.133986
where:
bonds (distance) C4'-P energy: -33.505
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -30.904
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -38.422
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -510.750934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.750934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.394222 (E_RNA)
where:
Base-Base interactions energy: -367.858
where: short stacking energy: -137.140
Base-Backbone interact. energy: -0.511
local terms energy: -143.025164
where:
bonds (distance) C4'-P energy: -31.699
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -32.480
Dist. restrs. and SS energy: 0.643 (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: 380
Temperature: 1.000000
Total energy: -515.385978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.385978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.705990 (E_RNA)
where:
Base-Base interactions energy: -358.736
where: short stacking energy: -148.214
Base-Backbone interact. energy: -0.376
local terms energy: -156.593896
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -40.059
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. 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: -493.676896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.676896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.031057 (E_RNA)
where:
Base-Base interactions energy: -346.784
where: short stacking energy: -142.043
Base-Backbone interact. energy: -0.857
local terms energy: -146.389848
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -488.923268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.923268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.020634 (E_RNA)
where:
Base-Base interactions energy: -346.374
where: short stacking energy: -136.180
Base-Backbone interact. energy: -0.506
local terms energy: -142.140461
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -33.657
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -474.768255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.768255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.800197 (E_RNA)
where:
Base-Base interactions energy: -339.963
where: short stacking energy: -128.755
Base-Backbone interact. energy: -0.664
local terms energy: -134.173638
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -35.857
Dist. restrs. and SS energy: 0.032 (S_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: 380
Temperature: 1.200000
Total energy: -462.652091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.652091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.118514 (E_RNA)
where:
Base-Base interactions energy: -321.292
where: short stacking energy: -127.077
Base-Backbone interact. energy: -0.159
local terms energy: -141.667309
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -36.414
Dist. restrs. and SS energy: 0.466 (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: 380
Temperature: 1.250000
Total energy: -421.846359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.846359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.322649 (E_RNA)
where:
Base-Base interactions energy: -308.311
where: short stacking energy: -124.817
Base-Backbone interact. energy: -0.573
local terms energy: -113.439189
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -26.528
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.476 (S_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: 380
Temperature: 1.300000
Total energy: -443.678789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.678789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.918553 (E_RNA)
where:
Base-Base interactions energy: -320.325
where: short stacking energy: -123.238
Base-Backbone interact. energy: -0.680
local terms energy: -122.914083
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. 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: -441.606489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.606489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.471424 (E_RNA)
where:
Base-Base interactions energy: -317.257
where: short stacking energy: -116.098
Base-Backbone interact. energy: -1.201
local terms energy: -124.013680
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -30.278
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -535.229919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.229919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.407149 (E_RNA)
where:
Base-Base interactions energy: -383.209
where: short stacking energy: -154.500
Base-Backbone interact. energy: -0.282
local terms energy: -151.915853
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -523.499917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.499917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.511831 (E_RNA)
where:
Base-Base interactions energy: -373.979
where: short stacking energy: -158.651
Base-Backbone interact. energy: 1.123
local terms energy: -150.655016
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -30.340
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -523.387420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.387420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.493422 (E_RNA)
where:
Base-Base interactions energy: -379.492
where: short stacking energy: -156.000
Base-Backbone interact. energy: -0.156
local terms energy: -143.845468
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -31.159
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -34.116
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -495.099441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.099441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.618846 (E_RNA)
where:
Base-Base interactions energy: -353.581
where: short stacking energy: -139.870
Base-Backbone interact. energy: 1.903
local terms energy: -143.941332
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -505.539961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.539961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.839317 (E_RNA)
where:
Base-Base interactions energy: -360.692
where: short stacking energy: -148.805
Base-Backbone interact. energy: -0.363
local terms energy: -144.785053
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -41.212
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: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -471.990826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.990826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.390086 (E_RNA)
where:
Base-Base interactions energy: -330.146
where: short stacking energy: -130.250
Base-Backbone interact. energy: 0.196
local terms energy: -142.440759
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -32.708
Dist. restrs. and SS energy: 0.399 (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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -484.613483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.613483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.263483 (E_RNA)
where:
Base-Base interactions energy: -334.727
where: short stacking energy: -136.879
Base-Backbone interact. energy: -0.179
local terms energy: -150.357555
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -36.874
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -461.131222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.131222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.462572 (E_RNA)
where:
Base-Base interactions energy: -336.592
where: short stacking energy: -134.013
Base-Backbone interact. energy: -0.625
local terms energy: -124.245603
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.331 (S_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: 381
Temperature: 1.300000
Total energy: -427.123137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.123137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.534662 (E_RNA)
where:
Base-Base interactions energy: -311.985
where: short stacking energy: -111.401
Base-Backbone interact. energy: 5.858
local terms energy: -121.407796
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -29.004
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -448.739383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.739383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.054931 (E_RNA)
where:
Base-Base interactions energy: -322.703
where: short stacking energy: -127.709
Base-Backbone interact. energy: -0.775
local terms energy: -125.576509
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -26.121
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -35.006
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -525.812425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.812425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.988183 (E_RNA)
where:
Base-Base interactions energy: -373.464
where: short stacking energy: -153.829
Base-Backbone interact. energy: -0.309
local terms energy: -152.215380
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -38.636
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -516.067709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.067709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.396490 (E_RNA)
where:
Base-Base interactions energy: -366.541
where: short stacking energy: -142.222
Base-Backbone interact. energy: -0.709
local terms energy: -149.146134
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -518.186969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.186969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.299038 (E_RNA)
where:
Base-Base interactions energy: -370.863
where: short stacking energy: -162.851
Base-Backbone interact. energy: -0.664
local terms energy: -146.771985
where:
bonds (distance) C4'-P energy: -28.585
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -28.154
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.112 (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: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -489.550630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.550630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.836580 (E_RNA)
where:
Base-Base interactions energy: -343.905
where: short stacking energy: -134.495
Base-Backbone interact. energy: 1.637
local terms energy: -147.568628
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -20.014
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -508.387935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.387935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.585382 (E_RNA)
where:
Base-Base interactions energy: -356.185
where: short stacking energy: -149.105
Base-Backbone interact. energy: 1.629
local terms energy: -154.029346
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -478.672435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.672435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.163832 (E_RNA)
where:
Base-Base interactions energy: -343.870
where: short stacking energy: -140.449
Base-Backbone interact. energy: -0.365
local terms energy: -134.928972
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -36.662
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -467.355519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.355519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.867292 (E_RNA)
where:
Base-Base interactions energy: -331.539
where: short stacking energy: -136.571
Base-Backbone interact. energy: -0.252
local terms energy: -136.075983
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -37.203
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -457.654734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.654734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.958229 (E_RNA)
where:
Base-Base interactions energy: -314.697
where: short stacking energy: -127.499
Base-Backbone interact. energy: -0.845
local terms energy: -142.416247
where:
bonds (distance) C4'-P energy: -28.209
bonds (distance) P-C4' energy: -31.811
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -20.283
tors. eta vs tors. theta energy: -28.563
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -457.438825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.438825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.111454 (E_RNA)
where:
Base-Base interactions energy: -329.953
where: short stacking energy: -131.031
Base-Backbone interact. energy: -1.158
local terms energy: -126.999708
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -34.072
Dist. restrs. and SS energy: 0.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -426.520105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.520105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.651908 (E_RNA)
where:
Base-Base interactions energy: -305.000
where: short stacking energy: -118.692
Base-Backbone interact. energy: -0.215
local terms energy: -121.437008
where:
bonds (distance) C4'-P energy: -24.153
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -28.343
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -523.132700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.132700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.366805 (E_RNA)
where:
Base-Base interactions energy: -357.616
where: short stacking energy: -151.073
Base-Backbone interact. energy: -2.035
local terms energy: -163.715503
where:
bonds (distance) C4'-P energy: -28.746
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -526.522593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.522593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.807018 (E_RNA)
where:
Base-Base interactions energy: -366.444
where: short stacking energy: -146.493
Base-Backbone interact. energy: -0.017
local terms energy: -160.346244
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -30.641
flat angles C4'-P-C4' energy: -36.920
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -37.874
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -510.247453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.247453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.366984 (E_RNA)
where:
Base-Base interactions energy: -360.135
where: short stacking energy: -147.287
Base-Backbone interact. energy: 0.285
local terms energy: -150.517142
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -27.651
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -40.376
Dist. restrs. and SS energy: 0.120 (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: 383
Temperature: 1.050000
Total energy: -495.219914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.219914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.357518 (E_RNA)
where:
Base-Base interactions energy: -348.825
where: short stacking energy: -145.901
Base-Backbone interact. energy: -0.671
local terms energy: -145.861116
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -30.096
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: 0.138 (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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -486.432118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.432118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.628192 (E_RNA)
where:
Base-Base interactions energy: -342.422
where: short stacking energy: -141.304
Base-Backbone interact. energy: 1.066
local terms energy: -145.272580
where:
bonds (distance) C4'-P energy: -25.479
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -39.080
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -466.435685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.435685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.767460 (E_RNA)
where:
Base-Base interactions energy: -340.342
where: short stacking energy: -133.004
Base-Backbone interact. energy: -0.437
local terms energy: -125.988244
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -456.932158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.932158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.711777 (E_RNA)
where:
Base-Base interactions energy: -325.191
where: short stacking energy: -131.271
Base-Backbone interact. energy: 0.647
local terms energy: -133.167290
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -34.845
Dist. restrs. and SS energy: 0.780 (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: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -453.353311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.353311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.924278 (E_RNA)
where:
Base-Base interactions energy: -327.778
where: short stacking energy: -135.119
Base-Backbone interact. energy: -0.775
local terms energy: -125.371594
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.571 (S_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: -442.429435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.429435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.721569 (E_RNA)
where:
Base-Base interactions energy: -327.066
where: short stacking energy: -125.562
Base-Backbone interact. energy: -0.354
local terms energy: -115.302036
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -33.093
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -421.880446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.880446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.237298 (E_RNA)
where:
Base-Base interactions energy: -300.867
where: short stacking energy: -122.346
Base-Backbone interact. energy: -0.291
local terms energy: -121.079805
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -28.397
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -539.418114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.418114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.595863 (E_RNA)
where:
Base-Base interactions energy: -383.524
where: short stacking energy: -151.127
Base-Backbone interact. energy: -0.110
local terms energy: -155.961719
where:
bonds (distance) C4'-P energy: -33.995
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -28.534
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -42.042
Dist. restrs. and SS energy: 0.178 (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: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -528.090288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.090288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.204662 (E_RNA)
where:
Base-Base interactions energy: -375.062
where: short stacking energy: -155.168
Base-Backbone interact. energy: -0.369
local terms energy: -152.773649
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.114 (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: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -519.230131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.230131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.326453 (E_RNA)
where:
Base-Base interactions energy: -376.363
where: short stacking energy: -156.905
Base-Backbone interact. energy: -0.331
local terms energy: -142.632518
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -38.055
Dist. restrs. and SS energy: 0.096 (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: 384
Temperature: 1.050000
Total energy: -510.312170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.312170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.485065 (E_RNA)
where:
Base-Base interactions energy: -360.313
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.101
local terms energy: -150.070745
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -41.062
Dist. restrs. and SS energy: 0.173 (S_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: 384
Temperature: 1.100000
Total energy: -490.434974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.434974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.543093 (E_RNA)
where:
Base-Base interactions energy: -351.919
where: short stacking energy: -130.757
Base-Backbone interact. energy: 1.263
local terms energy: -139.887223
where:
bonds (distance) C4'-P energy: -27.683
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -34.798
Dist. restrs. and SS energy: 0.108 (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: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -492.683398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.683398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.028196 (E_RNA)
where:
Base-Base interactions energy: -345.358
where: short stacking energy: -155.244
Base-Backbone interact. energy: 3.328
local terms energy: -150.998687
where:
bonds (distance) C4'-P energy: -29.346
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.345 (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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -450.678742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.678742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.867481 (E_RNA)
where:
Base-Base interactions energy: -322.189
where: short stacking energy: -124.019
Base-Backbone interact. energy: -0.510
local terms energy: -128.168212
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -20.944
tors. eta vs tors. theta energy: -33.649
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -454.928684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.928684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.080452 (E_RNA)
where:
Base-Base interactions energy: -333.151
where: short stacking energy: -132.973
Base-Backbone interact. energy: 0.062
local terms energy: -121.990518
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -33.291
Dist. restrs. and SS energy: 0.152 (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: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -441.078673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.078673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.719829 (E_RNA)
where:
Base-Base interactions energy: -310.458
where: short stacking energy: -131.375
Base-Backbone interact. energy: -0.237
local terms energy: -136.025229
where:
bonds (distance) C4'-P energy: -25.354
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -35.742
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: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -409.611356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.611356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.939255 (E_RNA)
where:
Base-Base interactions energy: -294.196
where: short stacking energy: -111.410
Base-Backbone interact. energy: -0.529
local terms energy: -115.214535
where:
bonds (distance) C4'-P energy: -26.456
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -533.734042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.734042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.012641 (E_RNA)
where:
Base-Base interactions energy: -373.999
where: short stacking energy: -157.261
Base-Backbone interact. energy: -0.222
local terms energy: -159.792212
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -33.856
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -40.295
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -519.484814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.484814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.844383 (E_RNA)
where:
Base-Base interactions energy: -364.883
where: short stacking energy: -147.952
Base-Backbone interact. energy: -1.532
local terms energy: -153.429688
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -27.675
flat angles C4'-P-C4' energy: -34.899
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -39.835
Dist. restrs. and SS energy: 0.360 (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: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -515.208869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.294334 (E_RNA)
where:
Base-Base interactions energy: -365.269
where: short stacking energy: -155.411
Base-Backbone interact. energy: -0.280
local terms energy: -149.745184
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -41.804
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -489.634335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.634335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.969264 (E_RNA)
where:
Base-Base interactions energy: -352.356
where: short stacking energy: -135.368
Base-Backbone interact. energy: -0.456
local terms energy: -137.157305
where:
bonds (distance) C4'-P energy: -28.717
bonds (distance) P-C4' energy: -30.260
flat angles C4'-P-C4' energy: -24.822
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -32.935
Dist. restrs. and SS energy: 0.335 (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: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -499.410345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.410345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.604333 (E_RNA)
where:
Base-Base interactions energy: -352.968
where: short stacking energy: -145.484
Base-Backbone interact. energy: 0.628
local terms energy: -147.264638
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -41.736
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -486.832100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.832100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.563657 (E_RNA)
where:
Base-Base interactions energy: -345.741
where: short stacking energy: -143.523
Base-Backbone interact. energy: -0.846
local terms energy: -140.976437
where:
bonds (distance) C4'-P energy: -29.378
bonds (distance) P-C4' energy: -28.683
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -38.138
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: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -484.458235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.458235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.724958 (E_RNA)
where:
Base-Base interactions energy: -337.838
where: short stacking energy: -138.013
Base-Backbone interact. energy: 0.038
local terms energy: -146.925317
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -32.408
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -442.889998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.889998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.111084 (E_RNA)
where:
Base-Base interactions energy: -316.598
where: short stacking energy: -128.575
Base-Backbone interact. energy: -0.472
local terms energy: -130.040879
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -30.828
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: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -451.017141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.017141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.310788 (E_RNA)
where:
Base-Base interactions energy: -330.693
where: short stacking energy: -126.896
Base-Backbone interact. energy: 1.282
local terms energy: -121.899868
where:
bonds (distance) C4'-P energy: -20.838
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -30.301
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -405.236651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.236651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.225871 (E_RNA)
where:
Base-Base interactions energy: -269.175
where: short stacking energy: -100.852
Base-Backbone interact. energy: -0.464
local terms energy: -136.586615
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -542.951092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.951092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.036470 (E_RNA)
where:
Base-Base interactions energy: -382.711
where: short stacking energy: -154.030
Base-Backbone interact. energy: -0.510
local terms energy: -159.815725
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -35.320
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -535.297759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.297759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.365722 (E_RNA)
where:
Base-Base interactions energy: -372.278
where: short stacking energy: -161.456
Base-Backbone interact. energy: -0.539
local terms energy: -162.548931
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -30.415
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -40.201
Dist. restrs. and SS energy: 0.068 (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: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -513.091961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.091961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.423758 (E_RNA)
where:
Base-Base interactions energy: -361.420
where: short stacking energy: -146.366
Base-Backbone interact. energy: -0.999
local terms energy: -151.004350
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -30.553
flat angles C4'-P-C4' energy: -34.549
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -39.148
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -501.592671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.592671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.186814 (E_RNA)
where:
Base-Base interactions energy: -353.924
where: short stacking energy: -144.296
Base-Backbone interact. energy: -2.115
local terms energy: -146.147555
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -31.568
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -34.122
Dist. restrs. and SS energy: 0.594 (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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -485.045969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.045969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.302509 (E_RNA)
where:
Base-Base interactions energy: -338.808
where: short stacking energy: -135.676
Base-Backbone interact. energy: -0.657
local terms energy: -145.838286
where:
bonds (distance) C4'-P energy: -26.169
bonds (distance) P-C4' energy: -33.648
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -34.856
Dist. restrs. and SS energy: 0.257 (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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -485.348343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.348343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.372698 (E_RNA)
where:
Base-Base interactions energy: -347.131
where: short stacking energy: -143.505
Base-Backbone interact. energy: 0.357
local terms energy: -139.599275
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -38.606
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -468.294756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.294756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.724995 (E_RNA)
where:
Base-Base interactions energy: -335.640
where: short stacking energy: -131.957
Base-Backbone interact. energy: -0.124
local terms energy: -132.960609
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -29.823
flat angles C4'-P-C4' energy: -29.232
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -33.129
Dist. restrs. and SS energy: 0.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -454.246312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.246312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.726764 (E_RNA)
where:
Base-Base interactions energy: -328.054
where: short stacking energy: -133.631
Base-Backbone interact. energy: -0.716
local terms energy: -130.956673
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -35.057
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: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -400.795790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.963168 (E_RNA)
where:
Base-Base interactions energy: -285.143
where: short stacking energy: -114.016
Base-Backbone interact. energy: -0.683
local terms energy: -115.137303
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -425.773668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.773668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.071592 (E_RNA)
where:
Base-Base interactions energy: -313.401
where: short stacking energy: -128.204
Base-Backbone interact. energy: 6.096
local terms energy: -118.765781
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -30.081
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -537.838436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.838436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.188654 (E_RNA)
where:
Base-Base interactions energy: -375.444
where: short stacking energy: -164.627
Base-Backbone interact. energy: -0.321
local terms energy: -162.423961
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -42.799
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: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -530.624986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.624986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.785910 (E_RNA)
where:
Base-Base interactions energy: -375.694
where: short stacking energy: -147.530
Base-Backbone interact. energy: -0.475
local terms energy: -154.616969
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -42.070
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -532.048597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.048597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.173356 (E_RNA)
where:
Base-Base interactions energy: -367.755
where: short stacking energy: -156.337
Base-Backbone interact. energy: -1.794
local terms energy: -162.624327
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -30.457
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -495.147407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.147407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.598526 (E_RNA)
where:
Base-Base interactions energy: -356.465
where: short stacking energy: -138.239
Base-Backbone interact. energy: -0.646
local terms energy: -138.486867
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -27.239
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -477.398326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.398326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.705038 (E_RNA)
where:
Base-Base interactions energy: -340.418
where: short stacking energy: -134.235
Base-Backbone interact. energy: -0.816
local terms energy: -136.470748
where:
bonds (distance) C4'-P energy: -22.667
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -21.870
tors. eta vs tors. theta energy: -29.326
Dist. restrs. and SS energy: 0.307 (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: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -487.395197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.395197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.507556 (E_RNA)
where:
Base-Base interactions energy: -350.706
where: short stacking energy: -142.006
Base-Backbone interact. energy: 0.048
local terms energy: -136.849728
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -34.517
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -460.891924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.891924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.088112 (E_RNA)
where:
Base-Base interactions energy: -329.819
where: short stacking energy: -123.168
Base-Backbone interact. energy: -0.341
local terms energy: -130.928437
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -27.708
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -32.011
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -416.459179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.459179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.126321 (E_RNA)
where:
Base-Base interactions energy: -294.616
where: short stacking energy: -126.666
Base-Backbone interact. energy: -2.435
local terms energy: -120.075655
where:
bonds (distance) C4'-P energy: -21.591
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -26.772
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -35.140
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -426.660766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.660766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.151623 (E_RNA)
where:
Base-Base interactions energy: -314.255
where: short stacking energy: -120.646
Base-Backbone interact. energy: 2.468
local terms energy: -115.364581
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -26.730
flat angles C4'-P-C4' energy: -29.683
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -438.128117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.128117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.557750 (E_RNA)
where:
Base-Base interactions energy: -312.244
where: short stacking energy: -117.298
Base-Backbone interact. energy: -0.086
local terms energy: -126.227800
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.430 (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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -533.101482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.101482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.179924 (E_RNA)
where:
Base-Base interactions energy: -367.260
where: short stacking energy: -155.048
Base-Backbone interact. energy: -2.598
local terms energy: -163.322134
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -45.584
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -520.842115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.842115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.179500 (E_RNA)
where:
Base-Base interactions energy: -372.872
where: short stacking energy: -158.352
Base-Backbone interact. energy: -0.054
local terms energy: -148.252784
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: -38.326
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: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -501.973594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.973594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.035164 (E_RNA)
where:
Base-Base interactions energy: -346.371
where: short stacking energy: -146.908
Base-Backbone interact. energy: 0.304
local terms energy: -155.968196
where:
bonds (distance) C4'-P energy: -30.458
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -35.513
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -505.821560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.821560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.143548 (E_RNA)
where:
Base-Base interactions energy: -357.037
where: short stacking energy: -135.049
Base-Backbone interact. energy: -2.059
local terms energy: -147.047812
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -32.342
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -36.166
Dist. restrs. and SS energy: 0.322 (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: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -487.474218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.474218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.684541 (E_RNA)
where:
Base-Base interactions energy: -342.530
where: short stacking energy: -134.745
Base-Backbone interact. energy: 1.509
local terms energy: -146.663636
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -37.988
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -490.499464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.499464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.647214 (E_RNA)
where:
Base-Base interactions energy: -354.865
where: short stacking energy: -148.668
Base-Backbone interact. energy: -0.471
local terms energy: -135.311329
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -36.300
Dist. restrs. and SS energy: 0.148 (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: 388
Temperature: 1.200000
Total energy: -436.924288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.924288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.995575 (E_RNA)
where:
Base-Base interactions energy: -312.174
where: short stacking energy: -116.058
Base-Backbone interact. energy: -0.529
local terms energy: -124.292564
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -450.172630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.172630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.469984 (E_RNA)
where:
Base-Base interactions energy: -325.214
where: short stacking energy: -132.313
Base-Backbone interact. energy: 0.127
local terms energy: -125.383053
where:
bonds (distance) C4'-P energy: -26.817
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -447.112533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.112533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.650291 (E_RNA)
where:
Base-Base interactions energy: -315.052
where: short stacking energy: -140.715
Base-Backbone interact. energy: 1.456
local terms energy: -134.054605
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -24.598
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -39.608
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -431.878380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.878380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.982318 (E_RNA)
where:
Base-Base interactions energy: -315.602
where: short stacking energy: -128.705
Base-Backbone interact. energy: -0.367
local terms energy: -124.013022
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -27.264
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -38.301
Dist. restrs. and SS energy: 8.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -536.947410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.947410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.039236 (E_RNA)
where:
Base-Base interactions energy: -375.054
where: short stacking energy: -155.349
Base-Backbone interact. energy: 0.323
local terms energy: -162.308418
where:
bonds (distance) C4'-P energy: -32.571
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -40.563
Dist. restrs. and SS energy: 0.092 (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: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -521.774204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.774204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.867493 (E_RNA)
where:
Base-Base interactions energy: -365.619
where: short stacking energy: -162.063
Base-Backbone interact. energy: -0.472
local terms energy: -155.776483
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -32.528
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.093 (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: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -503.874974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.874974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.089140 (E_RNA)
where:
Base-Base interactions energy: -360.847
where: short stacking energy: -145.531
Base-Backbone interact. energy: 0.604
local terms energy: -143.846504
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -31.469
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -32.629
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -509.965438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.965438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.020773 (E_RNA)
where:
Base-Base interactions energy: -363.063
where: short stacking energy: -138.996
Base-Backbone interact. energy: -0.475
local terms energy: -146.482032
where:
bonds (distance) C4'-P energy: -31.678
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -478.511655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.511655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.826614 (E_RNA)
where:
Base-Base interactions energy: -342.412
where: short stacking energy: -141.017
Base-Backbone interact. energy: 0.065
local terms energy: -136.479513
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -38.249
Dist. restrs. and SS energy: 0.315 (S_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: 389
Temperature: 1.150000
Total energy: -498.449511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.449511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.570989 (E_RNA)
where:
Base-Base interactions energy: -366.838
where: short stacking energy: -147.938
Base-Backbone interact. energy: -0.356
local terms energy: -131.377828
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -36.881
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -447.359781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.359781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.208927 (E_RNA)
where:
Base-Base interactions energy: -315.015
where: short stacking energy: -132.356
Base-Backbone interact. energy: -0.310
local terms energy: -132.883658
where:
bonds (distance) C4'-P energy: -26.752
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -35.248
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -443.657258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.657258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.850915 (E_RNA)
where:
Base-Base interactions energy: -318.674
where: short stacking energy: -116.390
Base-Backbone interact. energy: -0.854
local terms energy: -124.322891
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -30.595
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -440.691100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.691100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.982253 (E_RNA)
where:
Base-Base interactions energy: -316.951
where: short stacking energy: -114.181
Base-Backbone interact. energy: 0.392
local terms energy: -124.422406
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.291 (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: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -430.375623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.375623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.530589 (E_RNA)
where:
Base-Base interactions energy: -309.983
where: short stacking energy: -118.718
Base-Backbone interact. energy: -0.739
local terms energy: -123.808013
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -27.271
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -531.038823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.038823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.204178 (E_RNA)
where:
Base-Base interactions energy: -376.832
where: short stacking energy: -155.867
Base-Backbone interact. energy: -0.464
local terms energy: -153.908973
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -35.354
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -39.278
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -543.941746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.941746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.170563 (E_RNA)
where:
Base-Base interactions energy: -380.290
where: short stacking energy: -153.315
Base-Backbone interact. energy: -0.588
local terms energy: -163.293406
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -34.019
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -43.143
Dist. restrs. and SS energy: 0.229 (S_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: 390
Temperature: 1.000000
Total energy: -502.912835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.912835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.051541 (E_RNA)
where:
Base-Base interactions energy: -358.590
where: short stacking energy: -145.576
Base-Backbone interact. energy: -0.293
local terms energy: -144.168610
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -28.564
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -487.878864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.878864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.991534 (E_RNA)
where:
Base-Base interactions energy: -349.268
where: short stacking energy: -141.702
Base-Backbone interact. energy: 0.521
local terms energy: -139.244001
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -35.098
Dist. restrs. and SS energy: 0.113 (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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -487.869915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.869915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.109461 (E_RNA)
where:
Base-Base interactions energy: -348.114
where: short stacking energy: -128.156
Base-Backbone interact. energy: -0.749
local terms energy: -139.246182
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -33.936
Dist. restrs. and SS energy: 0.240 (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: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -468.276689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.276689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.320026 (E_RNA)
where:
Base-Base interactions energy: -328.986
where: short stacking energy: -133.129
Base-Backbone interact. energy: 1.346
local terms energy: -140.679939
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -28.735
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -34.999
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -430.907108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.907108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.601506 (E_RNA)
where:
Base-Base interactions energy: -310.157
where: short stacking energy: -115.194
Base-Backbone interact. energy: -0.256
local terms energy: -121.187965
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -25.002
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -25.511
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: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -462.410138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.410138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.547467 (E_RNA)
where:
Base-Base interactions energy: -330.265
where: short stacking energy: -125.534
Base-Backbone interact. energy: -0.774
local terms energy: -131.507922
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -29.135
flat angles C4'-P-C4' energy: -24.647
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -447.080929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.080929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.390687 (E_RNA)
where:
Base-Base interactions energy: -324.731
where: short stacking energy: -135.170
Base-Backbone interact. energy: -0.098
local terms energy: -122.561767
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -35.935
Dist. restrs. and SS energy: 0.310 (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: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -443.250183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.250183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.733905 (E_RNA)
where:
Base-Base interactions energy: -308.615
where: short stacking energy: -117.611
Base-Backbone interact. energy: -0.749
local terms energy: -134.369830
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -33.033
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -28.295
Dist. restrs. and SS energy: 0.484 (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: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -533.294145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.294145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.481529 (E_RNA)
where:
Base-Base interactions energy: -373.338
where: short stacking energy: -162.007
Base-Backbone interact. energy: -0.488
local terms energy: -159.656476
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -32.410
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -38.758
Dist. restrs. and SS energy: 0.187 (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: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -536.102888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.102888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.201257 (E_RNA)
where:
Base-Base interactions energy: -376.162
where: short stacking energy: -151.694
Base-Backbone interact. energy: -0.276
local terms energy: -159.763619
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -32.095
flat angles C4'-P-C4' energy: -29.090
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -42.440
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -506.230702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.230702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.434711 (E_RNA)
where:
Base-Base interactions energy: -359.833
where: short stacking energy: -147.801
Base-Backbone interact. energy: -0.414
local terms energy: -146.187930
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -509.398597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.398597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.757769 (E_RNA)
where:
Base-Base interactions energy: -356.286
where: short stacking energy: -152.998
Base-Backbone interact. energy: -1.447
local terms energy: -152.024543
where:
bonds (distance) C4'-P energy: -27.161
bonds (distance) P-C4' energy: -23.353
flat angles C4'-P-C4' energy: -35.111
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -41.930
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -486.011657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.011657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.134432 (E_RNA)
where:
Base-Base interactions energy: -347.953
where: short stacking energy: -133.786
Base-Backbone interact. energy: 1.550
local terms energy: -139.732111
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.123 (S_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: 391
Temperature: 1.150000
Total energy: -485.416693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.416693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.558717 (E_RNA)
where:
Base-Base interactions energy: -339.058
where: short stacking energy: -142.299
Base-Backbone interact. energy: 0.634
local terms energy: -147.134034
where:
bonds (distance) C4'-P energy: -28.867
bonds (distance) P-C4' energy: -32.014
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -36.090
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -450.666983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.666983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.800069 (E_RNA)
where:
Base-Base interactions energy: -329.032
where: short stacking energy: -129.353
Base-Backbone interact. energy: -1.708
local terms energy: -120.060905
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -32.880
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -469.522939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.522939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.856677 (E_RNA)
where:
Base-Base interactions energy: -342.425
where: short stacking energy: -139.963
Base-Backbone interact. energy: 6.122
local terms energy: -133.554384
where:
bonds (distance) C4'-P energy: -23.330
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -25.292
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -39.022
Dist. restrs. and SS energy: 0.334 (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: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -420.530715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.530715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.830652 (E_RNA)
where:
Base-Base interactions energy: -299.375
where: short stacking energy: -111.611
Base-Backbone interact. energy: 1.327
local terms energy: -122.782733
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -456.092306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.092306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.303151 (E_RNA)
where:
Base-Base interactions energy: -333.438
where: short stacking energy: -126.083
Base-Backbone interact. energy: -0.477
local terms energy: -122.387584
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -39.859
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -544.478458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.478458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.947446 (E_RNA)
where:
Base-Base interactions energy: -380.688
where: short stacking energy: -159.061
Base-Backbone interact. energy: -0.260
local terms energy: -163.998923
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -42.821
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -516.336934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.336934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.632984 (E_RNA)
where:
Base-Base interactions energy: -358.125
where: short stacking energy: -148.843
Base-Backbone interact. energy: -0.626
local terms energy: -157.881710
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -37.776
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -501.159659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.159659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.164466 (E_RNA)
where:
Base-Base interactions energy: -354.029
where: short stacking energy: -146.502
Base-Backbone interact. energy: -0.658
local terms energy: -146.477337
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -28.523
flat angles C4'-P-C4' energy: -32.699
flat angles P-C4'-P energy: -25.959
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.005 (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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -494.360147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.360147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.428472 (E_RNA)
where:
Base-Base interactions energy: -345.428
where: short stacking energy: -141.547
Base-Backbone interact. energy: -0.269
local terms energy: -148.731894
where:
bonds (distance) C4'-P energy: -30.216
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -30.946
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -39.716
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -503.288024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.288024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.405880 (E_RNA)
where:
Base-Base interactions energy: -354.244
where: short stacking energy: -131.080
Base-Backbone interact. energy: -0.521
local terms energy: -148.640765
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -37.161
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -473.712977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.712977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.939362 (E_RNA)
where:
Base-Base interactions energy: -343.870
where: short stacking energy: -147.078
Base-Backbone interact. energy: -0.024
local terms energy: -130.045742
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -39.126
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -438.336109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.336109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.512436 (E_RNA)
where:
Base-Base interactions energy: -304.220
where: short stacking energy: -121.186
Base-Backbone interact. energy: -0.062
local terms energy: -134.230685
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -29.685
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -451.149649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.149649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.453872 (E_RNA)
where:
Base-Base interactions energy: -325.495
where: short stacking energy: -129.863
Base-Backbone interact. energy: -0.242
local terms energy: -125.716819
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -35.449
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -433.710461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.710461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.064447 (E_RNA)
where:
Base-Base interactions energy: -308.835
where: short stacking energy: -116.367
Base-Backbone interact. energy: -0.822
local terms energy: -124.407409
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.354 (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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -418.957662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.752141 (E_RNA)
where:
Base-Base interactions energy: -294.566
where: short stacking energy: -129.538
Base-Backbone interact. energy: -0.529
local terms energy: -124.657101
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -35.762
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -544.423949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.423949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.664759 (E_RNA)
where:
Base-Base interactions energy: -382.414
where: short stacking energy: -161.725
Base-Backbone interact. energy: -3.270
local terms energy: -158.980794
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -43.747
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -521.404127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.404127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.541981 (E_RNA)
where:
Base-Base interactions energy: -364.455
where: short stacking energy: -147.657
Base-Backbone interact. energy: -1.626
local terms energy: -155.461406
where:
bonds (distance) C4'-P energy: -28.539
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -508.422297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.422297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.863555 (E_RNA)
where:
Base-Base interactions energy: -351.708
where: short stacking energy: -141.884
Base-Backbone interact. energy: -0.724
local terms energy: -156.432125
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -31.210
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -37.649
Dist. restrs. and SS energy: 0.441 (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: 393
Temperature: 1.050000
Total energy: -498.366849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.366849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.590052 (E_RNA)
where:
Base-Base interactions energy: -362.021
where: short stacking energy: -149.497
Base-Backbone interact. energy: 0.087
local terms energy: -136.656556
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -25.228
flat angles C4'-P-C4' energy: -29.542
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -38.544
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -483.763488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.763488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.246054 (E_RNA)
where:
Base-Base interactions energy: -344.037
where: short stacking energy: -132.883
Base-Backbone interact. energy: -0.585
local terms energy: -139.624605
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -31.013
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -32.821
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -483.344030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.344030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.555773 (E_RNA)
where:
Base-Base interactions energy: -333.920
where: short stacking energy: -129.405
Base-Backbone interact. energy: 0.496
local terms energy: -150.131291
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -35.571
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -447.490185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.490185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.927359 (E_RNA)
where:
Base-Base interactions energy: -319.088
where: short stacking energy: -116.380
Base-Backbone interact. energy: -0.761
local terms energy: -128.078826
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -452.295331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.295331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.467802 (E_RNA)
where:
Base-Base interactions energy: -314.344
where: short stacking energy: -120.379
Base-Backbone interact. energy: -0.505
local terms energy: -137.618710
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -24.605
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.172 (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: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -427.367556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.171506 (E_RNA)
where:
Base-Base interactions energy: -304.549
where: short stacking energy: -114.772
Base-Backbone interact. energy: -0.506
local terms energy: -123.116024
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -28.859
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: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -426.786736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.786736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.154164 (E_RNA)
where:
Base-Base interactions energy: -299.317
where: short stacking energy: -116.487
Base-Backbone interact. energy: -0.476
local terms energy: -127.360870
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -25.205
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -31.676
Dist. restrs. and SS energy: 0.367 (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: 394
Temperature: 0.900000
Total energy: -534.048258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.048258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.124726 (E_RNA)
where:
Base-Base interactions energy: -367.886
where: short stacking energy: -148.779
Base-Backbone interact. energy: -3.245
local terms energy: -162.993777
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -36.604
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -524.400691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.400691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.493942 (E_RNA)
where:
Base-Base interactions energy: -358.753
where: short stacking energy: -145.730
Base-Backbone interact. energy: -0.812
local terms energy: -164.928367
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -35.474
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.093 (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: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -507.264116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.264116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.180220 (E_RNA)
where:
Base-Base interactions energy: -359.678
where: short stacking energy: -143.386
Base-Backbone interact. energy: 0.804
local terms energy: -149.305688
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -37.478
Dist. restrs. and SS energy: 0.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -492.766028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.766028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.283825 (E_RNA)
where:
Base-Base interactions energy: -352.181
where: short stacking energy: -137.361
Base-Backbone interact. energy: -0.896
local terms energy: -140.207332
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -36.692
Dist. restrs. and SS energy: 0.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -484.913100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.913100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.965506 (E_RNA)
where:
Base-Base interactions energy: -362.342
where: short stacking energy: -144.973
Base-Backbone interact. energy: 0.136
local terms energy: -122.759593
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -33.515
Dist. restrs. and SS energy: 0.052 (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: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -475.545697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.545697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.924605 (E_RNA)
where:
Base-Base interactions energy: -342.138
where: short stacking energy: -129.054
Base-Backbone interact. energy: -1.187
local terms energy: -132.599509
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.379 (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: 394
Temperature: 1.200000
Total energy: -472.860322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.860322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.950464 (E_RNA)
where:
Base-Base interactions energy: -338.538
where: short stacking energy: -141.401
Base-Backbone interact. energy: -0.215
local terms energy: -134.197836
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -36.779
Dist. restrs. and SS energy: 0.090 (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: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -444.227645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.227645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.661463 (E_RNA)
where:
Base-Base interactions energy: -305.360
where: short stacking energy: -122.108
Base-Backbone interact. energy: -0.944
local terms energy: -138.357882
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -29.940
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -24.760
tors. eta vs tors. theta energy: -29.605
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -428.917392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.917392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.267307 (E_RNA)
where:
Base-Base interactions energy: -298.992
where: short stacking energy: -109.511
Base-Backbone interact. energy: 0.521
local terms energy: -130.796456
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -20.234
tors. eta vs tors. theta energy: -28.290
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -420.722871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.722871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.054955 (E_RNA)
where:
Base-Base interactions energy: -297.749
where: short stacking energy: -111.582
Base-Backbone interact. energy: -0.788
local terms energy: -122.518456
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -537.456439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.456439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.768356 (E_RNA)
where:
Base-Base interactions energy: -374.315
where: short stacking energy: -154.563
Base-Backbone interact. energy: -0.168
local terms energy: -163.285581
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -31.026
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.312 (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: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -525.404632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.404632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.749987 (E_RNA)
where:
Base-Base interactions energy: -374.520
where: short stacking energy: -149.133
Base-Backbone interact. energy: 1.472
local terms energy: -152.702299
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: -40.904
Dist. restrs. and SS energy: 0.345 (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: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -498.200093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.200093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.344147 (E_RNA)
where:
Base-Base interactions energy: -348.749
where: short stacking energy: -143.622
Base-Backbone interact. energy: -0.519
local terms energy: -149.076639
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.144 (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: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -504.164598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.164598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.279076 (E_RNA)
where:
Base-Base interactions energy: -358.033
where: short stacking energy: -132.694
Base-Backbone interact. energy: 0.561
local terms energy: -146.807481
where:
bonds (distance) C4'-P energy: -28.872
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -38.673
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -473.576850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.576850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.779793 (E_RNA)
where:
Base-Base interactions energy: -344.527
where: short stacking energy: -139.458
Base-Backbone interact. energy: -0.784
local terms energy: -128.469254
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -475.553977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.553977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.867359 (E_RNA)
where:
Base-Base interactions energy: -337.224
where: short stacking energy: -131.856
Base-Backbone interact. energy: -0.479
local terms energy: -138.164134
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -37.737
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -467.675226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.675226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.098639 (E_RNA)
where:
Base-Base interactions energy: -324.105
where: short stacking energy: -137.828
Base-Backbone interact. energy: 2.377
local terms energy: -146.370068
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -35.081
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -431.067624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.067624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.162182 (E_RNA)
where:
Base-Base interactions energy: -314.054
where: short stacking energy: -118.791
Base-Backbone interact. energy: -1.240
local terms energy: -115.868512
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -444.839500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.839500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.090937 (E_RNA)
where:
Base-Base interactions energy: -317.722
where: short stacking energy: -130.069
Base-Backbone interact. energy: -0.409
local terms energy: -126.960023
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -37.999
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -431.650140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.650140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.014221 (E_RNA)
where:
Base-Base interactions energy: -312.050
where: short stacking energy: -119.443
Base-Backbone interact. energy: -1.073
local terms energy: -118.892026
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.364 (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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -532.550710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.550710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.816081 (E_RNA)
where:
Base-Base interactions energy: -377.917
where: short stacking energy: -137.856
Base-Backbone interact. energy: -0.500
local terms energy: -154.399161
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.265 (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: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -532.860555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.860555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.917993 (E_RNA)
where:
Base-Base interactions energy: -379.791
where: short stacking energy: -153.990
Base-Backbone interact. energy: -1.243
local terms energy: -151.883657
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -44.148
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -523.664929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.664929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.801908 (E_RNA)
where:
Base-Base interactions energy: -360.711
where: short stacking energy: -145.850
Base-Backbone interact. energy: 0.671
local terms energy: -163.761060
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -30.700
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -487.552280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.552280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.763765 (E_RNA)
where:
Base-Base interactions energy: -347.905
where: short stacking energy: -148.729
Base-Backbone interact. energy: -0.208
local terms energy: -139.651104
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -26.223
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -40.941
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -483.942768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.942768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.016683 (E_RNA)
where:
Base-Base interactions energy: -349.009
where: short stacking energy: -141.318
Base-Backbone interact. energy: -1.347
local terms energy: -133.660651
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -28.299
flat angles C4'-P-C4' energy: -24.922
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -35.815
Dist. restrs. and SS energy: 0.074 (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: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -479.214884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.214884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.436832 (E_RNA)
where:
Base-Base interactions energy: -345.270
where: short stacking energy: -136.985
Base-Backbone interact. energy: -0.603
local terms energy: -133.563540
where:
bonds (distance) C4'-P energy: -21.277
bonds (distance) P-C4' energy: -29.893
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -39.120
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -468.120389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.120389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.489889 (E_RNA)
where:
Base-Base interactions energy: -339.404
where: short stacking energy: -131.971
Base-Backbone interact. energy: 0.673
local terms energy: -129.759731
where:
bonds (distance) C4'-P energy: -21.955
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -27.560
Dist. restrs. and SS energy: 0.370 (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: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -450.470712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.470712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.265576 (E_RNA)
where:
Base-Base interactions energy: -320.540
where: short stacking energy: -123.731
Base-Backbone interact. energy: -0.266
local terms energy: -130.460002
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -33.047
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -33.575
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: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -433.488279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.488279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.886806 (E_RNA)
where:
Base-Base interactions energy: -310.645
where: short stacking energy: -124.071
Base-Backbone interact. energy: -0.468
local terms energy: -122.773375
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.399 (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: 396
Temperature: 1.350000
Total energy: -416.239502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.239502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.282581 (E_RNA)
where:
Base-Base interactions energy: -299.926
where: short stacking energy: -122.531
Base-Backbone interact. energy: -0.732
local terms energy: -121.624898
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -31.522
flat angles P-C4'-P energy: -18.640
tors. eta vs tors. theta energy: -24.820
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: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -530.091377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.091377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.356722 (E_RNA)
where:
Base-Base interactions energy: -374.811
where: short stacking energy: -154.740
Base-Backbone interact. energy: 0.392
local terms energy: -155.938125
where:
bonds (distance) C4'-P energy: -28.569
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -32.748
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -36.969
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -526.165720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.165720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.481102 (E_RNA)
where:
Base-Base interactions energy: -363.236
where: short stacking energy: -150.290
Base-Backbone interact. energy: -0.608
local terms energy: -162.636922
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -41.752
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -525.533654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.533654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.124206 (E_RNA)
where:
Base-Base interactions energy: -368.961
where: short stacking energy: -147.943
Base-Backbone interact. energy: -0.463
local terms energy: -156.700364
where:
bonds (distance) C4'-P energy: -29.928
bonds (distance) P-C4' energy: -30.723
flat angles C4'-P-C4' energy: -28.078
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -39.806
Dist. restrs. and SS energy: 0.591 (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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -499.008800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.008800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.344138 (E_RNA)
where:
Base-Base interactions energy: -352.375
where: short stacking energy: -147.409
Base-Backbone interact. energy: -0.133
local terms energy: -146.836622
where:
bonds (distance) C4'-P energy: -29.275
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -32.829
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -40.346
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -465.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.326402 (E_RNA)
where:
Base-Base interactions energy: -334.862
where: short stacking energy: -137.684
Base-Backbone interact. energy: -0.843
local terms energy: -129.621647
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -27.166
flat angles P-C4'-P energy: -21.533
tors. eta vs tors. theta energy: -32.621
Dist. restrs. and SS energy: 0.268 (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: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -475.752560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.752560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.870151 (E_RNA)
where:
Base-Base interactions energy: -343.558
where: short stacking energy: -135.498
Base-Backbone interact. energy: 0.228
local terms energy: -132.539982
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -38.150
Dist. restrs. and SS energy: 0.118 (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: 397
Temperature: 1.200000
Total energy: -452.570042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.570042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.769094 (E_RNA)
where:
Base-Base interactions energy: -329.626
where: short stacking energy: -130.547
Base-Backbone interact. energy: -0.673
local terms energy: -122.470901
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.199 (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: 397
Temperature: 1.250000
Total energy: -452.580091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.580091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.557247 (E_RNA)
where:
Base-Base interactions energy: -328.174
where: short stacking energy: -119.789
Base-Backbone interact. energy: 0.217
local terms energy: -125.599914
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -439.233004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.233004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.334020 (E_RNA)
where:
Base-Base interactions energy: -313.762
where: short stacking energy: -124.587
Base-Backbone interact. energy: -0.622
local terms energy: -124.949807
where:
bonds (distance) C4'-P energy: -23.609
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: 0.101 (S_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: 397
Temperature: 1.350000
Total energy: -426.843274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.843274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.108717 (E_RNA)
where:
Base-Base interactions energy: -301.524
where: short stacking energy: -121.642
Base-Backbone interact. energy: -0.480
local terms energy: -125.104679
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -26.182
flat angles C4'-P-C4' energy: -26.320
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -28.387
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -526.053817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.053817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.117030 (E_RNA)
where:
Base-Base interactions energy: -369.568
where: short stacking energy: -154.078
Base-Backbone interact. energy: -0.924
local terms energy: -155.624731
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -31.300
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -45.555
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -518.597109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.597109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.652715 (E_RNA)
where:
Base-Base interactions energy: -357.802
where: short stacking energy: -152.673
Base-Backbone interact. energy: 0.462
local terms energy: -161.312548
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -28.546
flat angles C4'-P-C4' energy: -35.325
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -43.194
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -531.833348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.833348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.115633 (E_RNA)
where:
Base-Base interactions energy: -377.892
where: short stacking energy: -151.506
Base-Backbone interact. energy: -0.688
local terms energy: -153.535367
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -41.320
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -513.806746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.806746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.036237 (E_RNA)
where:
Base-Base interactions energy: -372.337
where: short stacking energy: -147.680
Base-Backbone interact. energy: 5.687
local terms energy: -147.386026
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -28.984
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.229 (S_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: 398
Temperature: 1.100000
Total energy: -487.347931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.347931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.523218 (E_RNA)
where:
Base-Base interactions energy: -353.000
where: short stacking energy: -142.226
Base-Backbone interact. energy: 1.096
local terms energy: -135.619792
where:
bonds (distance) C4'-P energy: -28.749
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -41.061
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -480.799457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.106358 (E_RNA)
where:
Base-Base interactions energy: -349.054
where: short stacking energy: -141.505
Base-Backbone interact. energy: -0.516
local terms energy: -131.536648
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.307 (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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -465.484759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.484759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.618959 (E_RNA)
where:
Base-Base interactions energy: -333.234
where: short stacking energy: -137.199
Base-Backbone interact. energy: 0.428
local terms energy: -132.813686
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -26.553
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -36.446
Dist. restrs. and SS energy: 0.134 (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: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -451.350729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.350729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.364667 (E_RNA)
where:
Base-Base interactions energy: -323.963
where: short stacking energy: -129.665
Base-Backbone interact. energy: 1.301
local terms energy: -128.702814
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -38.354
Dist. restrs. and SS energy: 0.014 (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: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -449.064213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.064213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.160265 (E_RNA)
where:
Base-Base interactions energy: -320.387
where: short stacking energy: -127.321
Base-Backbone interact. energy: 0.402
local terms energy: -129.175541
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.096 (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: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -406.294103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.294103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.494699 (E_RNA)
where:
Base-Base interactions energy: -296.424
where: short stacking energy: -111.035
Base-Backbone interact. energy: -1.071
local terms energy: -108.999499
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -24.810
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -527.102866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.102866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.425726 (E_RNA)
where:
Base-Base interactions energy: -365.441
where: short stacking energy: -152.557
Base-Backbone interact. energy: -0.358
local terms energy: -161.626908
where:
bonds (distance) C4'-P energy: -28.564
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.323 (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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -533.483324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.483324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.756178 (E_RNA)
where:
Base-Base interactions energy: -377.913
where: short stacking energy: -149.834
Base-Backbone interact. energy: -0.365
local terms energy: -155.477831
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -32.938
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -37.981
Dist. restrs. and SS energy: 0.273 (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: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -515.071033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.071033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.154574 (E_RNA)
where:
Base-Base interactions energy: -359.776
where: short stacking energy: -143.537
Base-Backbone interact. energy: 3.010
local terms energy: -158.389023
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -504.881925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.881925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.994420 (E_RNA)
where:
Base-Base interactions energy: -357.248
where: short stacking energy: -136.895
Base-Backbone interact. energy: 0.325
local terms energy: -148.071374
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -31.688
Dist. restrs. and SS energy: 0.112 (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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -491.201225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.201225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.447352 (E_RNA)
where:
Base-Base interactions energy: -345.011
where: short stacking energy: -131.934
Base-Backbone interact. energy: -0.798
local terms energy: -145.638265
where:
bonds (distance) C4'-P energy: -26.595
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.246 (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: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -491.099544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.099544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.494672 (E_RNA)
where:
Base-Base interactions energy: -355.557
where: short stacking energy: -145.492
Base-Backbone interact. energy: 3.114
local terms energy: -139.051252
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -34.081
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: 8
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -460.092356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.092356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.165233 (E_RNA)
where:
Base-Base interactions energy: -333.589
where: short stacking energy: -119.860
Base-Backbone interact. energy: 1.844
local terms energy: -128.419823
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -439.539167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.539167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.882681 (E_RNA)
where:
Base-Base interactions energy: -317.731
where: short stacking energy: -134.090
Base-Backbone interact. energy: -0.361
local terms energy: -121.790381
where:
bonds (distance) C4'-P energy: -26.903
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -31.572
Dist. restrs. and SS energy: 0.344 (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: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -439.692073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.692073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.979020 (E_RNA)
where:
Base-Base interactions energy: -312.734
where: short stacking energy: -112.881
Base-Backbone interact. energy: 0.882
local terms energy: -128.126757
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -30.128
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -29.020
Dist. restrs. and SS energy: 0.287 (S_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: 399
Temperature: 1.350000
Total energy: -413.248365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.248365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.856667 (E_RNA)
where:
Base-Base interactions energy: -296.586
where: short stacking energy: -115.383
Base-Backbone interact. energy: -0.351
local terms energy: -116.919208
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -30.829
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -538.953336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.953336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.300326 (E_RNA)
where:
Base-Base interactions energy: -373.568
where: short stacking energy: -149.136
Base-Backbone interact. energy: -0.168
local terms energy: -165.564725
where:
bonds (distance) C4'-P energy: -32.062
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -31.287
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -43.507
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -528.998846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.998846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.353883 (E_RNA)
where:
Base-Base interactions energy: -367.860
where: short stacking energy: -154.976
Base-Backbone interact. energy: -0.356
local terms energy: -161.137747
where:
bonds (distance) C4'-P energy: -31.986
bonds (distance) P-C4' energy: -29.826
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -512.306764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.306764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.398694 (E_RNA)
where:
Base-Base interactions energy: -369.498
where: short stacking energy: -146.575
Base-Backbone interact. energy: 0.436
local terms energy: -143.336226
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -41.579
Dist. restrs. and SS energy: 0.092 (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: 400
Temperature: 1.050000
Total energy: -512.723149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.723149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.890409 (E_RNA)
where:
Base-Base interactions energy: -354.646
where: short stacking energy: -149.801
Base-Backbone interact. energy: -0.744
local terms energy: -157.500519
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -496.821523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.821523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.110875 (E_RNA)
where:
Base-Base interactions energy: -353.463
where: short stacking energy: -153.494
Base-Backbone interact. energy: -0.090
local terms energy: -143.558622
where:
bonds (distance) C4'-P energy: -27.851
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -37.957
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -482.625494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.625494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.117863 (E_RNA)
where:
Base-Base interactions energy: -341.923
where: short stacking energy: -140.612
Base-Backbone interact. energy: -0.566
local terms energy: -140.628968
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -36.386
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: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -435.210519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.210519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.633912 (E_RNA)
where:
Base-Base interactions energy: -308.082
where: short stacking energy: -116.641
Base-Backbone interact. energy: -1.071
local terms energy: -126.481035
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -448.228997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.228997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.663863 (E_RNA)
where:
Base-Base interactions energy: -328.149
where: short stacking energy: -134.224
Base-Backbone interact. energy: -0.671
local terms energy: -119.843491
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -15.507
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: 0.435 (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: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -418.829591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.829591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.228245 (E_RNA)
where:
Base-Base interactions energy: -305.942
where: short stacking energy: -113.499
Base-Backbone interact. energy: -0.722
local terms energy: -112.563947
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.399 (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: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -437.967452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.967452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.585538 (E_RNA)
where:
Base-Base interactions energy: -313.763
where: short stacking energy: -113.930
Base-Backbone interact. energy: 1.218
local terms energy: -126.039782
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -34.895
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: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -538.671922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.671922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.844856 (E_RNA)
where:
Base-Base interactions energy: -383.073
where: short stacking energy: -157.324
Base-Backbone interact. energy: -0.412
local terms energy: -155.359498
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -30.716
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -42.412
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -536.406181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.406181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.647072 (E_RNA)
where:
Base-Base interactions energy: -381.485
where: short stacking energy: -151.737
Base-Backbone interact. energy: 0.056
local terms energy: -155.217757
where:
bonds (distance) C4'-P energy: -32.016
bonds (distance) P-C4' energy: -27.889
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -36.962
Dist. restrs. and SS energy: 0.241 (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: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -526.987158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.987158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.033806 (E_RNA)
where:
Base-Base interactions energy: -369.411
where: short stacking energy: -159.907
Base-Backbone interact. energy: -0.228
local terms energy: -157.395146
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -42.589
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -508.634503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.634503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.953360 (E_RNA)
where:
Base-Base interactions energy: -357.029
where: short stacking energy: -144.321
Base-Backbone interact. energy: -0.616
local terms energy: -151.308635
where:
bonds (distance) C4'-P energy: -30.005
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -32.511
flat angles P-C4'-P energy: -26.064
tors. eta vs tors. theta energy: -35.245
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -490.774915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.774915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.829506 (E_RNA)
where:
Base-Base interactions energy: -349.491
where: short stacking energy: -136.197
Base-Backbone interact. energy: -0.629
local terms energy: -140.709326
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -39.373
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -495.242306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.242306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.517012 (E_RNA)
where:
Base-Base interactions energy: -344.602
where: short stacking energy: -134.075
Base-Backbone interact. energy: -2.616
local terms energy: -148.298646
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -38.988
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -426.104613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.104613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.320038 (E_RNA)
where:
Base-Base interactions energy: -302.629
where: short stacking energy: -109.478
Base-Backbone interact. energy: -1.045
local terms energy: -122.646403
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -438.447488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.447488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.533220 (E_RNA)
where:
Base-Base interactions energy: -315.049
where: short stacking energy: -119.554
Base-Backbone interact. energy: 0.578
local terms energy: -127.061835
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -36.726
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -431.082589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.082589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.344512 (E_RNA)
where:
Base-Base interactions energy: -319.542
where: short stacking energy: -126.082
Base-Backbone interact. energy: -0.745
local terms energy: -111.057114
where:
bonds (distance) C4'-P energy: -29.173
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -431.236004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.236004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.517554 (E_RNA)
where:
Base-Base interactions energy: -323.520
where: short stacking energy: -127.316
Base-Backbone interact. energy: 0.708
local terms energy: -108.705327
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -25.966
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -28.941
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: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -535.199238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.199238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.303308 (E_RNA)
where:
Base-Base interactions energy: -380.344
where: short stacking energy: -149.009
Base-Backbone interact. energy: -0.601
local terms energy: -154.357558
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -32.707
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -40.804
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -524.179892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.179892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.498531 (E_RNA)
where:
Base-Base interactions energy: -380.396
where: short stacking energy: -152.238
Base-Backbone interact. energy: 0.366
local terms energy: -144.467956
where:
bonds (distance) C4'-P energy: -22.411
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -21.016
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -508.053796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.053796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.259141 (E_RNA)
where:
Base-Base interactions energy: -363.765
where: short stacking energy: -146.968
Base-Backbone interact. energy: -0.732
local terms energy: -143.761628
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -516.696020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.696020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.826674 (E_RNA)
where:
Base-Base interactions energy: -357.162
where: short stacking energy: -156.611
Base-Backbone interact. energy: -0.157
local terms energy: -159.507730
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -40.828
Dist. restrs. and SS energy: 0.131 (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: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -488.046959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.046959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.381095 (E_RNA)
where:
Base-Base interactions energy: -342.518
where: short stacking energy: -139.378
Base-Backbone interact. energy: -0.242
local terms energy: -145.621322
where:
bonds (distance) C4'-P energy: -29.035
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -38.519
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -479.176896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.176896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.638853 (E_RNA)
where:
Base-Base interactions energy: -348.466
where: short stacking energy: -138.032
Base-Backbone interact. energy: -2.702
local terms energy: -128.471037
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -25.335
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -41.723
Dist. restrs. and SS energy: 0.462 (S_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: 402
Temperature: 1.200000
Total energy: -447.327767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.327767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.089465 (E_RNA)
where:
Base-Base interactions energy: -317.098
where: short stacking energy: -131.701
Base-Backbone interact. energy: 1.055
local terms energy: -132.046578
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -425.265475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.265475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.735107 (E_RNA)
where:
Base-Base interactions energy: -304.447
where: short stacking energy: -124.993
Base-Backbone interact. energy: -0.511
local terms energy: -120.777215
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -23.688
flat angles C4'-P-C4' energy: -24.875
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -32.831
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -443.891439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.891439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.611445 (E_RNA)
where:
Base-Base interactions energy: -324.244
where: short stacking energy: -130.060
Base-Backbone interact. energy: -0.622
local terms energy: -119.746355
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -32.211
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -407.638835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.638835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.240911 (E_RNA)
where:
Base-Base interactions energy: -287.932
where: short stacking energy: -112.138
Base-Backbone interact. energy: -0.295
local terms energy: -120.013641
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -28.347
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -22.097
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: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -539.664844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.664844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.928445 (E_RNA)
where:
Base-Base interactions energy: -381.465
where: short stacking energy: -150.739
Base-Backbone interact. energy: -0.449
local terms energy: -158.014665
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -34.360
flat angles P-C4'-P energy: -24.242
tors. eta vs tors. theta energy: -42.561
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -523.525681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.525681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.579813 (E_RNA)
where:
Base-Base interactions energy: -377.999
where: short stacking energy: -156.200
Base-Backbone interact. energy: -0.021
local terms energy: -145.560038
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -36.157
Dist. restrs. and SS energy: 0.054 (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: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -515.304906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.304906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.182147 (E_RNA)
where:
Base-Base interactions energy: -362.197
where: short stacking energy: -137.016
Base-Backbone interact. energy: 0.101
local terms energy: -154.086350
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -35.311
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. 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: -506.410546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.410546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.542613 (E_RNA)
where:
Base-Base interactions energy: -353.440
where: short stacking energy: -146.720
Base-Backbone interact. energy: 1.572
local terms energy: -154.674163
where:
bonds (distance) C4'-P energy: -27.428
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -38.551
Dist. restrs. and SS energy: 0.132 (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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -502.810032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.810032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.032854 (E_RNA)
where:
Base-Base interactions energy: -370.038
where: short stacking energy: -159.878
Base-Backbone interact. energy: -0.760
local terms energy: -132.234516
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -37.309
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -472.378740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.378740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.465742 (E_RNA)
where:
Base-Base interactions energy: -339.362
where: short stacking energy: -133.418
Base-Backbone interact. energy: 1.075
local terms energy: -134.178933
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -32.978
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -461.166886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.166886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.990617 (E_RNA)
where:
Base-Base interactions energy: -329.667
where: short stacking energy: -124.024
Base-Backbone interact. energy: 0.911
local terms energy: -133.234613
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -33.619
flat angles C4'-P-C4' energy: -27.070
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 0.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -424.641206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.641206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.960567 (E_RNA)
where:
Base-Base interactions energy: -296.728
where: short stacking energy: -121.476
Base-Backbone interact. energy: -0.266
local terms energy: -127.966825
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -25.624
flat angles C4'-P-C4' energy: -30.848
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -27.843
Dist. restrs. and SS energy: 0.319 (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: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -438.048238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.048238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.111167 (E_RNA)
where:
Base-Base interactions energy: -312.921
where: short stacking energy: -122.495
Base-Backbone interact. energy: 1.687
local terms energy: -126.877710
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -29.427
Dist. restrs. and SS energy: 0.063 (S_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: 403
Temperature: 1.350000
Total energy: -416.392823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.392823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.829039 (E_RNA)
where:
Base-Base interactions energy: -296.706
where: short stacking energy: -117.245
Base-Backbone interact. energy: -0.000
local terms energy: -120.122198
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.436 (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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -537.535388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.535388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.717921 (E_RNA)
where:
Base-Base interactions energy: -383.863
where: short stacking energy: -155.979
Base-Backbone interact. energy: 0.015
local terms energy: -153.869741
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.183 (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: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -524.792942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.792942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.002316 (E_RNA)
where:
Base-Base interactions energy: -369.622
where: short stacking energy: -138.055
Base-Backbone interact. energy: 1.864
local terms energy: -157.243484
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -513.796102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.796102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.817761 (E_RNA)
where:
Base-Base interactions energy: -352.535
where: short stacking energy: -138.676
Base-Backbone interact. energy: -1.023
local terms energy: -160.259692
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: -41.997
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -486.284227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.284227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.556477 (E_RNA)
where:
Base-Base interactions energy: -346.565
where: short stacking energy: -137.690
Base-Backbone interact. energy: -1.012
local terms energy: -138.978819
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -37.953
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -479.504061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.504061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.577185 (E_RNA)
where:
Base-Base interactions energy: -336.017
where: short stacking energy: -118.923
Base-Backbone interact. energy: -1.165
local terms energy: -142.395471
where:
bonds (distance) C4'-P energy: -26.270
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -33.685
flat angles P-C4'-P energy: -23.523
tors. eta vs tors. theta energy: -28.768
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -486.777547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.777547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.929925 (E_RNA)
where:
Base-Base interactions energy: -338.684
where: short stacking energy: -135.137
Base-Backbone interact. energy: -0.503
local terms energy: -147.743023
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -36.209
Dist. restrs. and SS energy: 0.152 (S_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: 404
Temperature: 1.200000
Total energy: -462.594256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.594256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.783786 (E_RNA)
where:
Base-Base interactions energy: -326.552
where: short stacking energy: -127.700
Base-Backbone interact. energy: -0.892
local terms energy: -135.339436
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -33.856
Dist. restrs. and SS energy: 0.190 (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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -419.597957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.597957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.780480 (E_RNA)
where:
Base-Base interactions energy: -299.962
where: short stacking energy: -112.499
Base-Backbone interact. energy: -1.609
local terms energy: -118.209512
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -23.599
Dist. restrs. and SS energy: 0.183 (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: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -417.002394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.002394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.879048 (E_RNA)
where:
Base-Base interactions energy: -299.538
where: short stacking energy: -105.087
Base-Backbone interact. energy: -0.187
local terms energy: -119.154592
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -22.548
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -28.144
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: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -416.968469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.968469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.155140 (E_RNA)
where:
Base-Base interactions energy: -300.102
where: short stacking energy: -111.891
Base-Backbone interact. energy: -1.658
local terms energy: -116.394294
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -23.991
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: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -538.809464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.809464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.148850 (E_RNA)
where:
Base-Base interactions energy: -377.217
where: short stacking energy: -154.158
Base-Backbone interact. energy: -0.472
local terms energy: -161.459790
where:
bonds (distance) C4'-P energy: -30.177
bonds (distance) P-C4' energy: -31.491
flat angles C4'-P-C4' energy: -35.286
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -44.413
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -526.174081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.174081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.401321 (E_RNA)
where:
Base-Base interactions energy: -361.322
where: short stacking energy: -152.146
Base-Backbone interact. energy: -0.635
local terms energy: -164.443947
where:
bonds (distance) C4'-P energy: -28.432
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -25.983
tors. eta vs tors. theta energy: -44.238
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -524.757471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.757471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.816119 (E_RNA)
where:
Base-Base interactions energy: -366.162
where: short stacking energy: -153.413
Base-Backbone interact. energy: 0.633
local terms energy: -159.286576
where:
bonds (distance) C4'-P energy: -28.753
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -44.360
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -490.541604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.541604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.933847 (E_RNA)
where:
Base-Base interactions energy: -352.315
where: short stacking energy: -143.566
Base-Backbone interact. energy: -0.788
local terms energy: -137.830259
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -33.011
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -493.250191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.250191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.587823 (E_RNA)
where:
Base-Base interactions energy: -343.932
where: short stacking energy: -145.668
Base-Backbone interact. energy: 0.028
local terms energy: -149.683946
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -38.023
Dist. restrs. and SS energy: 0.338 (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: 405
Temperature: 1.150000
Total energy: -481.330735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.330735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.795876 (E_RNA)
where:
Base-Base interactions energy: -340.511
where: short stacking energy: -141.180
Base-Backbone interact. energy: -1.235
local terms energy: -140.049726
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -35.471
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -473.873502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.873502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.191556 (E_RNA)
where:
Base-Base interactions energy: -341.182
where: short stacking energy: -135.156
Base-Backbone interact. energy: 0.010
local terms energy: -133.019646
where:
bonds (distance) C4'-P energy: -26.723
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.318 (S_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: 405
Temperature: 1.250000
Total energy: -432.224373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.224373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.554404 (E_RNA)
where:
Base-Base interactions energy: -319.887
where: short stacking energy: -123.188
Base-Backbone interact. energy: -1.617
local terms energy: -114.050675
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -29.856
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -415.479282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.479282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.767208 (E_RNA)
where:
Base-Base interactions energy: -291.494
where: short stacking energy: -115.941
Base-Backbone interact. energy: 0.225
local terms energy: -124.498502
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -427.275548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.275548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.735229 (E_RNA)
where:
Base-Base interactions energy: -299.465
where: short stacking energy: -117.544
Base-Backbone interact. energy: -1.002
local terms energy: -127.267952
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -31.974
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -528.382235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.382235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.597599 (E_RNA)
where:
Base-Base interactions energy: -366.464
where: short stacking energy: -147.956
Base-Backbone interact. energy: -0.558
local terms energy: -161.575090
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.215 (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: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -523.150560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.150560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.290971 (E_RNA)
where:
Base-Base interactions energy: -368.003
where: short stacking energy: -149.162
Base-Backbone interact. energy: -0.401
local terms energy: -154.887163
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -40.340
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. 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: -522.642985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.642985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.860812 (E_RNA)
where:
Base-Base interactions energy: -361.597
where: short stacking energy: -151.223
Base-Backbone interact. energy: -0.376
local terms energy: -160.887014
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -494.502948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.502948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.683751 (E_RNA)
where:
Base-Base interactions energy: -351.840
where: short stacking energy: -141.950
Base-Backbone interact. energy: -0.402
local terms energy: -142.441666
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -30.518
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -17.180
tors. eta vs tors. theta energy: -37.247
Dist. restrs. and SS energy: 0.181 (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: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -506.840528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.840528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.085266 (E_RNA)
where:
Base-Base interactions energy: -356.208
where: short stacking energy: -144.840
Base-Backbone interact. energy: -0.409
local terms energy: -150.468231
where:
bonds (distance) C4'-P energy: -23.849
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -38.786
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -509.919083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.919083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.060886 (E_RNA)
where:
Base-Base interactions energy: -360.559
where: short stacking energy: -144.648
Base-Backbone interact. energy: -0.529
local terms energy: -148.973055
where:
bonds (distance) C4'-P energy: -28.571
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -39.724
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -456.959997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.959997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.079676 (E_RNA)
where:
Base-Base interactions energy: -323.142
where: short stacking energy: -124.203
Base-Backbone interact. energy: -1.080
local terms energy: -132.857722
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -427.828848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.828848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.234731 (E_RNA)
where:
Base-Base interactions energy: -298.539
where: short stacking energy: -115.228
Base-Backbone interact. energy: 0.026
local terms energy: -129.721958
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -27.912
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -419.386555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.386555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.620057 (E_RNA)
where:
Base-Base interactions energy: -297.891
where: short stacking energy: -111.209
Base-Backbone interact. energy: -0.150
local terms energy: -121.579479
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.234 (S_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: 406
Temperature: 1.350000
Total energy: -440.310695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.310695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.818300 (E_RNA)
where:
Base-Base interactions energy: -334.400
where: short stacking energy: -132.836
Base-Backbone interact. energy: 0.059
local terms energy: -106.477789
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -33.872
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -543.153317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.153317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.231965 (E_RNA)
where:
Base-Base interactions energy: -383.824
where: short stacking energy: -163.830
Base-Backbone interact. energy: 0.175
local terms energy: -159.582169
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -43.077
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -520.333895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.333895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.549159 (E_RNA)
where:
Base-Base interactions energy: -358.296
where: short stacking energy: -148.219
Base-Backbone interact. energy: -0.127
local terms energy: -162.126328
where:
bonds (distance) C4'-P energy: -32.589
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.215 (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: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -507.375070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.375070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.522061 (E_RNA)
where:
Base-Base interactions energy: -357.395
where: short stacking energy: -145.838
Base-Backbone interact. energy: -0.345
local terms energy: -149.781296
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -30.613
flat angles C4'-P-C4' energy: -32.758
flat angles P-C4'-P energy: -16.453
tors. eta vs tors. theta energy: -40.079
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -494.113784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.113784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.449447 (E_RNA)
where:
Base-Base interactions energy: -353.043
where: short stacking energy: -149.991
Base-Backbone interact. energy: 1.008
local terms energy: -142.414739
where:
bonds (distance) C4'-P energy: -28.393
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -31.567
Dist. restrs. and SS energy: 0.336 (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: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -496.831992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.831992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.092809 (E_RNA)
where:
Base-Base interactions energy: -347.336
where: short stacking energy: -142.960
Base-Backbone interact. energy: -0.731
local terms energy: -149.025810
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -28.505
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -36.798
Dist. restrs. and SS energy: 0.261 (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: 407
Temperature: 1.150000
Total energy: -486.899008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.899008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.977989 (E_RNA)
where:
Base-Base interactions energy: -341.562
where: short stacking energy: -134.222
Base-Backbone interact. energy: 1.072
local terms energy: -146.488176
where:
bonds (distance) C4'-P energy: -31.679
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -34.314
Dist. restrs. and SS energy: 0.079 (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: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -462.839999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.839999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.965845 (E_RNA)
where:
Base-Base interactions energy: -338.534
where: short stacking energy: -131.996
Base-Backbone interact. energy: -0.652
local terms energy: -123.779108
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -29.421
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.126 (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: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -443.309814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.309814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.830383 (E_RNA)
where:
Base-Base interactions energy: -310.737
where: short stacking energy: -122.932
Base-Backbone interact. energy: -0.015
local terms energy: -133.078139
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -28.829
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -430.788020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.788020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.389769 (E_RNA)
where:
Base-Base interactions energy: -301.463
where: short stacking energy: -115.414
Base-Backbone interact. energy: -0.098
local terms energy: -129.828714
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -25.100
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -27.576
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: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -440.843585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.843585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.594169 (E_RNA)
where:
Base-Base interactions energy: -312.077
where: short stacking energy: -126.506
Base-Backbone interact. energy: -0.776
local terms energy: -128.742003
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -18.096
tors. eta vs tors. theta energy: -33.527
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -547.522974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.522974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.825688 (E_RNA)
where:
Base-Base interactions energy: -379.945
where: short stacking energy: -158.119
Base-Backbone interact. energy: -1.424
local terms energy: -166.456959
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -34.722
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -38.126
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. 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: -524.148734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.148734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.401422 (E_RNA)
where:
Base-Base interactions energy: -367.936
where: short stacking energy: -157.106
Base-Backbone interact. energy: 0.916
local terms energy: -157.381011
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -29.435
flat angles C4'-P-C4' energy: -29.618
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.253 (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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -511.361216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.361216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.814394 (E_RNA)
where:
Base-Base interactions energy: -356.410
where: short stacking energy: -141.990
Base-Backbone interact. energy: -0.639
local terms energy: -154.765728
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -39.314
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: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -497.219482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.219482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.318769 (E_RNA)
where:
Base-Base interactions energy: -349.697
where: short stacking energy: -144.085
Base-Backbone interact. energy: -0.929
local terms energy: -146.692484
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -39.332
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -480.969187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.969187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.209924 (E_RNA)
where:
Base-Base interactions energy: -337.158
where: short stacking energy: -132.645
Base-Backbone interact. energy: 1.712
local terms energy: -145.763766
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -40.606
Dist. restrs. and SS energy: 0.241 (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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -479.159492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.159492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.355398 (E_RNA)
where:
Base-Base interactions energy: -351.993
where: short stacking energy: -132.721
Base-Backbone interact. energy: -0.936
local terms energy: -126.426528
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -37.354
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -461.162505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.162505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.370064 (E_RNA)
where:
Base-Base interactions energy: -338.221
where: short stacking energy: -130.713
Base-Backbone interact. energy: -0.917
local terms energy: -122.231995
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -26.545
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -34.231
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -454.943532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.943532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.560247 (E_RNA)
where:
Base-Base interactions energy: -319.177
where: short stacking energy: -121.027
Base-Backbone interact. energy: -0.448
local terms energy: -135.935665
where:
bonds (distance) C4'-P energy: -29.703
bonds (distance) P-C4' energy: -34.622
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -433.667706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.667706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.970892 (E_RNA)
where:
Base-Base interactions energy: -312.338
where: short stacking energy: -121.882
Base-Backbone interact. energy: -0.586
local terms energy: -121.047206
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -26.305
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -16.373
tors. eta vs tors. theta energy: -32.302
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -424.569890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.569890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.938075 (E_RNA)
where:
Base-Base interactions energy: -314.757
where: short stacking energy: -119.504
Base-Backbone interact. energy: -0.325
local terms energy: -109.855817
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -28.711
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: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -541.308002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.308002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.333151 (E_RNA)
where:
Base-Base interactions energy: -385.524
where: short stacking energy: -149.966
Base-Backbone interact. energy: -0.681
local terms energy: -155.128201
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -38.938
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -520.457813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.457813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.612102 (E_RNA)
where:
Base-Base interactions energy: -369.403
where: short stacking energy: -157.698
Base-Backbone interact. energy: -0.377
local terms energy: -150.831972
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -30.781
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -38.856
Dist. restrs. and SS energy: 0.154 (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: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -502.423761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.423761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.734278 (E_RNA)
where:
Base-Base interactions energy: -349.492
where: short stacking energy: -143.593
Base-Backbone interact. energy: -0.564
local terms energy: -152.678775
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -36.342
Dist. restrs. and SS energy: 0.311 (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: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -512.323298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.323298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.645069 (E_RNA)
where:
Base-Base interactions energy: -362.355
where: short stacking energy: -149.421
Base-Backbone interact. energy: -0.587
local terms energy: -149.702430
where:
bonds (distance) C4'-P energy: -25.225
bonds (distance) P-C4' energy: -30.339
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -26.921
tors. eta vs tors. theta energy: -37.232
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -490.037295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.037295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.160728 (E_RNA)
where:
Base-Base interactions energy: -344.145
where: short stacking energy: -141.288
Base-Backbone interact. energy: 1.671
local terms energy: -147.686885
where:
bonds (distance) C4'-P energy: -29.084
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -40.274
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -465.414682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.414682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.308311 (E_RNA)
where:
Base-Base interactions energy: -329.828
where: short stacking energy: -131.427
Base-Backbone interact. energy: -2.093
local terms energy: -134.387311
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -32.479
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -470.410953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.410953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.762649 (E_RNA)
where:
Base-Base interactions energy: -328.427
where: short stacking energy: -126.014
Base-Backbone interact. energy: -0.281
local terms energy: -142.054200
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -33.055
Dist. restrs. and SS energy: 0.352 (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: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -448.380233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.380233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.493009 (E_RNA)
where:
Base-Base interactions energy: -317.678
where: short stacking energy: -120.590
Base-Backbone interact. energy: -1.580
local terms energy: -129.234901
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -29.412
flat angles C4'-P-C4' energy: -25.249
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -415.132248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.132248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.639370 (E_RNA)
where:
Base-Base interactions energy: -293.181
where: short stacking energy: -106.491
Base-Backbone interact. energy: 0.879
local terms energy: -123.337359
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.507 (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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -415.746147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.746147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.276420 (E_RNA)
where:
Base-Base interactions energy: -307.490
where: short stacking energy: -112.359
Base-Backbone interact. energy: -0.647
local terms energy: -108.139298
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -549.563908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.563908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.786692 (E_RNA)
where:
Base-Base interactions energy: -392.571
where: short stacking energy: -165.709
Base-Backbone interact. energy: -0.359
local terms energy: -156.856045
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -45.809
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -535.237779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.237779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.412233 (E_RNA)
where:
Base-Base interactions energy: -371.209
where: short stacking energy: -154.658
Base-Backbone interact. energy: -0.534
local terms energy: -163.669044
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -40.137
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -502.633428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.633428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.888446 (E_RNA)
where:
Base-Base interactions energy: -351.369
where: short stacking energy: -141.170
Base-Backbone interact. energy: -0.429
local terms energy: -151.090247
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -43.556
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -504.008013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.008013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.435483 (E_RNA)
where:
Base-Base interactions energy: -359.978
where: short stacking energy: -143.730
Base-Backbone interact. energy: -0.187
local terms energy: -144.270985
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -30.833
flat angles C4'-P-C4' energy: -35.622
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.427 (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: 410
Temperature: 1.100000
Total energy: -498.927526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.927526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.845320 (E_RNA)
where:
Base-Base interactions energy: -356.857
where: short stacking energy: -144.539
Base-Backbone interact. energy: -0.517
local terms energy: -142.470681
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -36.638
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -486.798069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.798069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.846281 (E_RNA)
where:
Base-Base interactions energy: -341.118
where: short stacking energy: -134.681
Base-Backbone interact. energy: 0.775
local terms energy: -146.502825
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -30.987
flat angles C4'-P-C4' energy: -36.678
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -39.462
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -470.419631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.419631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.553657 (E_RNA)
where:
Base-Base interactions energy: -328.819
where: short stacking energy: -134.144
Base-Backbone interact. energy: -0.336
local terms energy: -141.398153
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -34.601
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -471.329328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.329328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.414220 (E_RNA)
where:
Base-Base interactions energy: -342.786
where: short stacking energy: -138.519
Base-Backbone interact. energy: 1.014
local terms energy: -129.642385
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -25.759
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -34.406
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -443.115847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.467757 (E_RNA)
where:
Base-Base interactions energy: -312.561
where: short stacking energy: -122.682
Base-Backbone interact. energy: -0.333
local terms energy: -130.574017
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -32.200
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -408.091068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.091068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.724912 (E_RNA)
where:
Base-Base interactions energy: -291.968
where: short stacking energy: -106.165
Base-Backbone interact. energy: 1.706
local terms energy: -118.462462
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -532.930158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.941381 (E_RNA)
where:
Base-Base interactions energy: -375.045
where: short stacking energy: -170.085
Base-Backbone interact. energy: -0.692
local terms energy: -157.204062
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -35.244
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.011 (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: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -524.289261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.289261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.491141 (E_RNA)
where:
Base-Base interactions energy: -368.745
where: short stacking energy: -156.428
Base-Backbone interact. energy: -0.451
local terms energy: -155.294967
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -23.961
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -530.837136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.837136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.283485 (E_RNA)
where:
Base-Base interactions energy: -377.523
where: short stacking energy: -151.847
Base-Backbone interact. energy: -0.061
local terms energy: -153.700264
where:
bonds (distance) C4'-P energy: -33.349
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -42.463
Dist. restrs. and SS energy: 0.446 (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: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -515.217230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.217230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.324213 (E_RNA)
where:
Base-Base interactions energy: -362.758
where: short stacking energy: -157.038
Base-Backbone interact. energy: -0.650
local terms energy: -151.916214
where:
bonds (distance) C4'-P energy: -24.116
bonds (distance) P-C4' energy: -30.522
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -44.411
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -484.258888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.258888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.422605 (E_RNA)
where:
Base-Base interactions energy: -345.401
where: short stacking energy: -128.815
Base-Backbone interact. energy: 0.757
local terms energy: -139.778367
where:
bonds (distance) C4'-P energy: -30.467
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -29.784
Dist. restrs. and SS energy: 0.164 (S_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: 411
Temperature: 1.150000
Total energy: -468.072081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.072081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.186995 (E_RNA)
where:
Base-Base interactions energy: -329.765
where: short stacking energy: -124.238
Base-Backbone interact. energy: -0.683
local terms energy: -137.739216
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -32.886
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -471.122440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.122440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.587195 (E_RNA)
where:
Base-Base interactions energy: -342.907
where: short stacking energy: -137.569
Base-Backbone interact. energy: -0.511
local terms energy: -128.169054
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -460.422866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.422866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.247838 (E_RNA)
where:
Base-Base interactions energy: -345.390
where: short stacking energy: -124.864
Base-Backbone interact. energy: -0.442
local terms energy: -115.416580
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -29.288
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: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -440.576131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.576131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.197127 (E_RNA)
where:
Base-Base interactions energy: -323.510
where: short stacking energy: -126.284
Base-Backbone interact. energy: -0.599
local terms energy: -117.088106
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -29.877
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -389.994169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.994169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.071235 (E_RNA)
where:
Base-Base interactions energy: -286.762
where: short stacking energy: -114.995
Base-Backbone interact. energy: -0.648
local terms energy: -103.661648
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -527.777481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.777481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.856480 (E_RNA)
where:
Base-Base interactions energy: -370.770
where: short stacking energy: -164.087
Base-Backbone interact. energy: 1.136
local terms energy: -158.223180
where:
bonds (distance) C4'-P energy: -27.496
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -35.986
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -521.689626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.689626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.210835 (E_RNA)
where:
Base-Base interactions energy: -373.508
where: short stacking energy: -151.334
Base-Backbone interact. energy: 2.950
local terms energy: -151.652735
where:
bonds (distance) C4'-P energy: -27.827
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -33.073
flat angles P-C4'-P energy: -27.797
tors. eta vs tors. theta energy: -37.830
Dist. restrs. and SS energy: 0.521 (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: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -515.955282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.955282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.066141 (E_RNA)
where:
Base-Base interactions energy: -361.356
where: short stacking energy: -160.197
Base-Backbone interact. energy: -0.530
local terms energy: -154.179920
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -33.562
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -492.089725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.089725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.274512 (E_RNA)
where:
Base-Base interactions energy: -341.247
where: short stacking energy: -138.176
Base-Backbone interact. energy: -0.282
local terms energy: -150.745214
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -36.540
Dist. restrs. and SS energy: 0.185 (S_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: 412
Temperature: 1.100000
Total energy: -493.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.813421 (E_RNA)
where:
Base-Base interactions energy: -351.198
where: short stacking energy: -147.970
Base-Backbone interact. energy: -0.786
local terms energy: -141.829644
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -41.681
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -467.672313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.672313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.203429 (E_RNA)
where:
Base-Base interactions energy: -334.886
where: short stacking energy: -125.089
Base-Backbone interact. energy: -0.804
local terms energy: -132.513094
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -34.626
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: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -470.680933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.680933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.877507 (E_RNA)
where:
Base-Base interactions energy: -335.148
where: short stacking energy: -129.692
Base-Backbone interact. energy: -0.182
local terms energy: -135.547963
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -26.966
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.197 (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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -451.404406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.404406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.252850 (E_RNA)
where:
Base-Base interactions energy: -323.585
where: short stacking energy: -134.032
Base-Backbone interact. energy: -0.476
local terms energy: -128.191717
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -27.509
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -37.265
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -443.095828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.095828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.230086 (E_RNA)
where:
Base-Base interactions energy: -331.644
where: short stacking energy: -118.156
Base-Backbone interact. energy: 0.277
local terms energy: -111.862547
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -29.191
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -420.267334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.267334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.917715 (E_RNA)
where:
Base-Base interactions energy: -278.653
where: short stacking energy: -111.610
Base-Backbone interact. energy: -0.696
local terms energy: -142.569036
where:
bonds (distance) C4'-P energy: -29.791
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -26.653
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: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -530.146270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.146270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.350723 (E_RNA)
where:
Base-Base interactions energy: -366.291
where: short stacking energy: -155.087
Base-Backbone interact. energy: -0.455
local terms energy: -163.604974
where:
bonds (distance) C4'-P energy: -30.294
bonds (distance) P-C4' energy: -31.258
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -43.860
Dist. restrs. and SS energy: 0.204 (S_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: 413
Temperature: 0.950000
Total energy: -526.573251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.573251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.663623 (E_RNA)
where:
Base-Base interactions energy: -369.584
where: short stacking energy: -148.020
Base-Backbone interact. energy: -0.192
local terms energy: -156.888265
where:
bonds (distance) C4'-P energy: -31.653
bonds (distance) P-C4' energy: -27.819
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -504.447224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.447224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.603439 (E_RNA)
where:
Base-Base interactions energy: -369.663
where: short stacking energy: -160.588
Base-Backbone interact. energy: -0.234
local terms energy: -134.705717
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -41.095
Dist. restrs. and SS energy: 0.156 (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: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -504.277441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.277441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.499953 (E_RNA)
where:
Base-Base interactions energy: -350.036
where: short stacking energy: -140.773
Base-Backbone interact. energy: -0.466
local terms energy: -153.997344
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -36.506
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -39.726
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -475.351220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.351220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.778411 (E_RNA)
where:
Base-Base interactions energy: -339.991
where: short stacking energy: -138.503
Base-Backbone interact. energy: -0.575
local terms energy: -135.212612
where:
bonds (distance) C4'-P energy: -24.649
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -34.852
Dist. restrs. and SS energy: 0.427 (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: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -488.214066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.214066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.679084 (E_RNA)
where:
Base-Base interactions energy: -344.479
where: short stacking energy: -132.355
Base-Backbone interact. energy: -1.245
local terms energy: -142.955097
where:
bonds (distance) C4'-P energy: -31.250
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -30.781
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -33.097
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -471.562083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.562083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.813620 (E_RNA)
where:
Base-Base interactions energy: -346.134
where: short stacking energy: -137.864
Base-Backbone interact. energy: 0.852
local terms energy: -126.532068
where:
bonds (distance) C4'-P energy: -22.233
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -27.683
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -35.601
Dist. restrs. and SS energy: 0.252 (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: 413
Temperature: 1.250000
Total energy: -454.470584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.470584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.615383 (E_RNA)
where:
Base-Base interactions energy: -327.011
where: short stacking energy: -116.482
Base-Backbone interact. energy: -1.106
local terms energy: -126.498296
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -27.662
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -441.822315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.822315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.213662 (E_RNA)
where:
Base-Base interactions energy: -327.030
where: short stacking energy: -125.117
Base-Backbone interact. energy: 1.085
local terms energy: -116.269049
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -29.847
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -416.901231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.901231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.215432 (E_RNA)
where:
Base-Base interactions energy: -314.370
where: short stacking energy: -121.617
Base-Backbone interact. energy: -0.325
local terms energy: -102.519800
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -28.828
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -520.301328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.301328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.470940 (E_RNA)
where:
Base-Base interactions energy: -360.005
where: short stacking energy: -154.740
Base-Backbone interact. energy: -1.270
local terms energy: -159.196421
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -42.198
Dist. restrs. and SS energy: 0.170 (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: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -527.283708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.283708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.325581 (E_RNA)
where:
Base-Base interactions energy: -370.405
where: short stacking energy: -157.544
Base-Backbone interact. energy: -0.052
local terms energy: -156.867938
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -31.389
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -19.936
tors. eta vs tors. theta energy: -42.819
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -520.880070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.880070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.100084 (E_RNA)
where:
Base-Base interactions energy: -365.066
where: short stacking energy: -143.182
Base-Backbone interact. energy: -0.578
local terms energy: -155.455298
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -36.927
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -501.271768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.776065 (E_RNA)
where:
Base-Base interactions energy: -362.252
where: short stacking energy: -148.749
Base-Backbone interact. energy: -0.092
local terms energy: -139.432547
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -35.875
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -37.444
Dist. restrs. and SS energy: 0.504 (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: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -486.551106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.551106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.679215 (E_RNA)
where:
Base-Base interactions energy: -348.447
where: short stacking energy: -135.864
Base-Backbone interact. energy: 0.569
local terms energy: -138.801325
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -34.259
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.128 (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: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -449.684436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.684436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.105250 (E_RNA)
where:
Base-Base interactions energy: -322.753
where: short stacking energy: -129.113
Base-Backbone interact. energy: -1.556
local terms energy: -125.796172
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -25.174
flat angles P-C4'-P energy: -20.646
tors. eta vs tors. theta energy: -28.859
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -476.060738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.060738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.588097 (E_RNA)
where:
Base-Base interactions energy: -344.509
where: short stacking energy: -137.447
Base-Backbone interact. energy: -1.164
local terms energy: -130.915207
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -33.556
Dist. restrs. and SS energy: 0.527 (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: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -465.849785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.849785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.271857 (E_RNA)
where:
Base-Base interactions energy: -337.647
where: short stacking energy: -144.071
Base-Backbone interact. energy: 0.614
local terms energy: -129.238247
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -36.356
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -423.296912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.296912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.683550 (E_RNA)
where:
Base-Base interactions energy: -305.231
where: short stacking energy: -117.010
Base-Backbone interact. energy: -1.284
local terms energy: -117.168405
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.387 (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: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -435.755918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.755918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.111677 (E_RNA)
where:
Base-Base interactions energy: -323.887
where: short stacking energy: -128.303
Base-Backbone interact. energy: -0.139
local terms energy: -112.085232
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -17.729
tors. eta vs tors. theta energy: -30.720
Dist. restrs. and SS energy: 0.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -531.244660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.244660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.313834 (E_RNA)
where:
Base-Base interactions energy: -368.851
where: short stacking energy: -162.994
Base-Backbone interact. energy: -0.509
local terms energy: -161.954500
where:
bonds (distance) C4'-P energy: -30.496
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: -44.636
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -519.510777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.510777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.651482 (E_RNA)
where:
Base-Base interactions energy: -361.521
where: short stacking energy: -150.758
Base-Backbone interact. energy: -0.109
local terms energy: -158.021311
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -32.343
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -514.108314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.108314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.171419 (E_RNA)
where:
Base-Base interactions energy: -358.319
where: short stacking energy: -141.069
Base-Backbone interact. energy: -0.168
local terms energy: -155.684298
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -39.812
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -506.656415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.656415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.953166 (E_RNA)
where:
Base-Base interactions energy: -352.597
where: short stacking energy: -145.489
Base-Backbone interact. energy: -0.462
local terms energy: -153.894155
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -44.229
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -483.743531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.743531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.943298 (E_RNA)
where:
Base-Base interactions energy: -352.503
where: short stacking energy: -145.127
Base-Backbone interact. energy: -0.638
local terms energy: -130.802873
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -492.057481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.057481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.789825 (E_RNA)
where:
Base-Base interactions energy: -350.240
where: short stacking energy: -149.524
Base-Backbone interact. energy: -0.172
local terms energy: -142.377419
where:
bonds (distance) C4'-P energy: -26.688
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -41.349
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: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -443.479662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.479662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.543522 (E_RNA)
where:
Base-Base interactions energy: -318.160
where: short stacking energy: -131.438
Base-Backbone interact. energy: -0.833
local terms energy: -124.550300
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -31.472
Dist. restrs. and SS energy: 0.064 (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: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -444.259469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.259469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.515535 (E_RNA)
where:
Base-Base interactions energy: -327.963
where: short stacking energy: -125.509
Base-Backbone interact. energy: -0.015
local terms energy: -116.537362
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -25.521
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -424.914460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.914460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.093299 (E_RNA)
where:
Base-Base interactions energy: -304.593
where: short stacking energy: -112.308
Base-Backbone interact. energy: 0.473
local terms energy: -120.973056
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.179 (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: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -440.476880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.476880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.574780 (E_RNA)
where:
Base-Base interactions energy: -319.805
where: short stacking energy: -119.206
Base-Backbone interact. energy: -0.561
local terms energy: -120.208167
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -31.040
Dist. restrs. and SS energy: 0.098 (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: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -528.870106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.870106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.063215 (E_RNA)
where:
Base-Base interactions energy: -359.871
where: short stacking energy: -154.438
Base-Backbone interact. energy: 0.412
local terms energy: -169.604288
where:
bonds (distance) C4'-P energy: -34.995
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -39.226
Dist. restrs. and SS energy: 0.193 (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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -513.147544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.147544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.332634 (E_RNA)
where:
Base-Base interactions energy: -366.792
where: short stacking energy: -148.958
Base-Backbone interact. energy: 0.840
local terms energy: -147.381142
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -24.003
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -37.168
Dist. restrs. and SS energy: 0.185 (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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -510.843171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.843171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.368413 (E_RNA)
where:
Base-Base interactions energy: -360.556
where: short stacking energy: -156.124
Base-Backbone interact. energy: -0.476
local terms energy: -150.336693
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -43.058
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -507.233283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.233283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.745580 (E_RNA)
where:
Base-Base interactions energy: -358.316
where: short stacking energy: -150.993
Base-Backbone interact. energy: -0.406
local terms energy: -149.023821
where:
bonds (distance) C4'-P energy: -27.554
bonds (distance) P-C4' energy: -25.051
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -41.461
Dist. restrs. and SS energy: 0.512 (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: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -479.063991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.063991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.145032 (E_RNA)
where:
Base-Base interactions energy: -342.596
where: short stacking energy: -139.831
Base-Backbone interact. energy: -0.583
local terms energy: -135.966251
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -27.203
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -36.953
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -480.570492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.570492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.826881 (E_RNA)
where:
Base-Base interactions energy: -332.614
where: short stacking energy: -133.781
Base-Backbone interact. energy: -0.459
local terms energy: -147.753648
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -33.384
Dist. restrs. and SS energy: 0.256 (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: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -455.989517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.989517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.301192 (E_RNA)
where:
Base-Base interactions energy: -338.332
where: short stacking energy: -131.666
Base-Backbone interact. energy: 0.942
local terms energy: -118.911124
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -34.661
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -432.319959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.319959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.502375 (E_RNA)
where:
Base-Base interactions energy: -318.991
where: short stacking energy: -124.125
Base-Backbone interact. energy: 4.848
local terms energy: -118.359539
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -445.470497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.470497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.769600 (E_RNA)
where:
Base-Base interactions energy: -326.661
where: short stacking energy: -132.353
Base-Backbone interact. energy: -0.395
local terms energy: -118.713285
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -30.058
flat angles C4'-P-C4' energy: -26.061
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -30.398
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -406.542372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.542372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.036841 (E_RNA)
where:
Base-Base interactions energy: -290.843
where: short stacking energy: -114.491
Base-Backbone interact. energy: -1.200
local terms energy: -114.993611
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -25.855
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -526.726342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.726342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.826195 (E_RNA)
where:
Base-Base interactions energy: -365.420
where: short stacking energy: -155.024
Base-Backbone interact. energy: 0.584
local terms energy: -161.990845
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -42.323
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -529.401759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.401759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.528303 (E_RNA)
where:
Base-Base interactions energy: -371.972
where: short stacking energy: -142.428
Base-Backbone interact. energy: -1.034
local terms energy: -156.522428
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: -33.619
Dist. restrs. and SS energy: 0.127 (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: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -505.129054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.129054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.261731 (E_RNA)
where:
Base-Base interactions energy: -360.518
where: short stacking energy: -151.011
Base-Backbone interact. energy: -0.085
local terms energy: -144.658087
where:
bonds (distance) C4'-P energy: -25.653
bonds (distance) P-C4' energy: -25.264
flat angles C4'-P-C4' energy: -34.091
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -492.991730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.991730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.585966 (E_RNA)
where:
Base-Base interactions energy: -356.798
where: short stacking energy: -138.873
Base-Backbone interact. energy: -0.470
local terms energy: -136.318462
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -34.454
Dist. restrs. and SS energy: 0.594 (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: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -492.431644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.431644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.623158 (E_RNA)
where:
Base-Base interactions energy: -346.709
where: short stacking energy: -144.585
Base-Backbone interact. energy: -0.764
local terms energy: -145.150331
where:
bonds (distance) C4'-P energy: -30.658
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -35.792
Dist. restrs. and SS energy: 0.192 (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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -468.791692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.791692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.102008 (E_RNA)
where:
Base-Base interactions energy: -340.638
where: short stacking energy: -134.833
Base-Backbone interact. energy: 0.248
local terms energy: -128.712936
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -38.333
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -454.640886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.640886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.697027 (E_RNA)
where:
Base-Base interactions energy: -331.641
where: short stacking energy: -129.828
Base-Backbone interact. energy: -0.661
local terms energy: -122.395521
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -22.822
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -31.296
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -460.030051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.030051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.170144 (E_RNA)
where:
Base-Base interactions energy: -329.579
where: short stacking energy: -121.846
Base-Backbone interact. energy: -0.656
local terms energy: -129.934312
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -32.443
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -433.164191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.164191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.294072 (E_RNA)
where:
Base-Base interactions energy: -314.328
where: short stacking energy: -125.792
Base-Backbone interact. energy: -1.103
local terms energy: -117.863087
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -28.907
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -418.973090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.973090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.726550 (E_RNA)
where:
Base-Base interactions energy: -301.210
where: short stacking energy: -124.383
Base-Backbone interact. energy: -1.092
local terms energy: -117.424759
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -30.400
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -539.829612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.829612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.829612 (E_RNA)
where:
Base-Base interactions energy: -378.241
where: short stacking energy: -145.115
Base-Backbone interact. energy: -0.563
local terms energy: -161.025794
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -34.009
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -40.302
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -517.914636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.914636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.207124 (E_RNA)
where:
Base-Base interactions energy: -370.947
where: short stacking energy: -149.100
Base-Backbone interact. energy: 0.372
local terms energy: -147.632006
where:
bonds (distance) C4'-P energy: -22.714
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -45.023
Dist. restrs. and SS energy: 0.292 (S_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: 418
Temperature: 1.000000
Total energy: -511.829998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.829998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.140456 (E_RNA)
where:
Base-Base interactions energy: -355.379
where: short stacking energy: -136.713
Base-Backbone interact. energy: -0.786
local terms energy: -155.975392
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -32.958
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -492.087320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.087320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.132032 (E_RNA)
where:
Base-Base interactions energy: -359.438
where: short stacking energy: -147.111
Base-Backbone interact. energy: 0.039
local terms energy: -132.732964
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -39.289
Dist. restrs. and SS energy: 0.045 (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: 418
Temperature: 1.100000
Total energy: -488.661001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.661001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.297847 (E_RNA)
where:
Base-Base interactions energy: -345.437
where: short stacking energy: -132.082
Base-Backbone interact. energy: -0.468
local terms energy: -143.393462
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -29.878
flat angles C4'-P-C4' energy: -27.480
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.637 (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: 418
Temperature: 1.150000
Total energy: -474.256830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.256830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.913198 (E_RNA)
where:
Base-Base interactions energy: -341.816
where: short stacking energy: -138.406
Base-Backbone interact. energy: -0.466
local terms energy: -132.631185
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -26.937
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -37.172
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -460.104789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.104789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.274334 (E_RNA)
where:
Base-Base interactions energy: -334.793
where: short stacking energy: -131.778
Base-Backbone interact. energy: -0.362
local terms energy: -125.119638
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -30.466
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -441.730972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.730972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.983907 (E_RNA)
where:
Base-Base interactions energy: -317.561
where: short stacking energy: -118.334
Base-Backbone interact. energy: -0.159
local terms energy: -124.263883
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.253 (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: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -453.225089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.225089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.947233 (E_RNA)
where:
Base-Base interactions energy: -321.055
where: short stacking energy: -133.214
Base-Backbone interact. energy: -0.654
local terms energy: -132.238173
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -26.887
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -33.055
Dist. restrs. and SS energy: 0.722 (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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -426.972826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.972826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.607406 (E_RNA)
where:
Base-Base interactions energy: -298.445
where: short stacking energy: -108.456
Base-Backbone interact. energy: -0.477
local terms energy: -128.685689
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -29.969
flat angles P-C4'-P energy: -25.793
tors. eta vs tors. theta energy: -29.916
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -548.038238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.038238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.273052 (E_RNA)
where:
Base-Base interactions energy: -384.501
where: short stacking energy: -156.889
Base-Backbone interact. energy: -0.325
local terms energy: -163.446571
where:
bonds (distance) C4'-P energy: -32.134
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -42.971
Dist. restrs. and SS energy: 0.235 (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: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -518.174830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.174830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.658101 (E_RNA)
where:
Base-Base interactions energy: -364.394
where: short stacking energy: -141.569
Base-Backbone interact. energy: -1.124
local terms energy: -153.140090
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -40.973
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: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -514.967375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.967375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.131778 (E_RNA)
where:
Base-Base interactions energy: -367.548
where: short stacking energy: -152.490
Base-Backbone interact. energy: -0.495
local terms energy: -147.088527
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -28.147
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -19.390
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -494.143653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.143653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.321818 (E_RNA)
where:
Base-Base interactions energy: -350.369
where: short stacking energy: -138.981
Base-Backbone interact. energy: -0.434
local terms energy: -143.518375
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -485.746622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.746622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.859668 (E_RNA)
where:
Base-Base interactions energy: -343.166
where: short stacking energy: -128.380
Base-Backbone interact. energy: -1.198
local terms energy: -141.495622
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -478.251412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.251412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.421240 (E_RNA)
where:
Base-Base interactions energy: -346.280
where: short stacking energy: -135.346
Base-Backbone interact. energy: -0.646
local terms energy: -131.495411
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -25.622
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -38.483
Dist. restrs. and SS energy: 0.170 (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: 419
Temperature: 1.200000
Total energy: -466.915646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.915646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.137431 (E_RNA)
where:
Base-Base interactions energy: -328.927
where: short stacking energy: -128.595
Base-Backbone interact. energy: -1.645
local terms energy: -136.564855
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -441.829492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.829492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.209543 (E_RNA)
where:
Base-Base interactions energy: -320.306
where: short stacking energy: -121.742
Base-Backbone interact. energy: -1.422
local terms energy: -120.481613
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -19.723
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.380 (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: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -453.954893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.954893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.407359 (E_RNA)
where:
Base-Base interactions energy: -334.697
where: short stacking energy: -128.425
Base-Backbone interact. energy: -1.270
local terms energy: -118.439885
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -32.801
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -424.362090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.362090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.614647 (E_RNA)
where:
Base-Base interactions energy: -315.460
where: short stacking energy: -124.418
Base-Backbone interact. energy: 0.175
local terms energy: -109.329591
where:
bonds (distance) C4'-P energy: -22.697
bonds (distance) P-C4' energy: -26.319
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -530.177865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.318989 (E_RNA)
where:
Base-Base interactions energy: -375.329
where: short stacking energy: -153.980
Base-Backbone interact. energy: -1.053
local terms energy: -153.936562
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -33.013
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.141 (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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -528.519742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.519742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.531782 (E_RNA)
where:
Base-Base interactions energy: -374.224
where: short stacking energy: -149.502
Base-Backbone interact. energy: -0.717
local terms energy: -153.591087
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -30.840
flat angles C4'-P-C4' energy: -33.113
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -37.511
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -519.027020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.027020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.487783 (E_RNA)
where:
Base-Base interactions energy: -368.631
where: short stacking energy: -143.614
Base-Backbone interact. energy: -1.159
local terms energy: -149.698010
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -34.429
Dist. restrs. and SS energy: 0.461 (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: 420
Temperature: 1.050000
Total energy: -495.777934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.777934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.184087 (E_RNA)
where:
Base-Base interactions energy: -349.128
where: short stacking energy: -139.765
Base-Backbone interact. energy: 1.604
local terms energy: -148.659803
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -27.120
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -36.571
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -493.679879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.679879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.138078 (E_RNA)
where:
Base-Base interactions energy: -346.789
where: short stacking energy: -148.097
Base-Backbone interact. energy: 0.329
local terms energy: -147.678128
where:
bonds (distance) C4'-P energy: -27.987
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -42.643
Dist. restrs. and SS energy: 0.458 (S_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: 420
Temperature: 1.150000
Total energy: -470.824029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.824029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.145900 (E_RNA)
where:
Base-Base interactions energy: -336.725
where: short stacking energy: -137.369
Base-Backbone interact. energy: -0.413
local terms energy: -134.008101
where:
bonds (distance) C4'-P energy: -23.012
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.322 (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: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -476.411872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.411872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.680367 (E_RNA)
where:
Base-Base interactions energy: -342.929
where: short stacking energy: -122.277
Base-Backbone interact. energy: -0.467
local terms energy: -133.284656
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -31.837
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -482.582697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.582697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.779277 (E_RNA)
where:
Base-Base interactions energy: -346.555
where: short stacking energy: -154.035
Base-Backbone interact. energy: -0.375
local terms energy: -135.848730
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -40.445
Dist. restrs. and SS energy: 0.197 (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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -430.687195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.687195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.792325 (E_RNA)
where:
Base-Base interactions energy: -310.701
where: short stacking energy: -124.874
Base-Backbone interact. energy: -1.176
local terms energy: -118.915430
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.105 (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: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -430.000009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.000009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.223166 (E_RNA)
where:
Base-Base interactions energy: -305.013
where: short stacking energy: -117.385
Base-Backbone interact. energy: -0.426
local terms energy: -124.784098
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -26.868
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -528.562500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.562500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.652546 (E_RNA)
where:
Base-Base interactions energy: -372.249
where: short stacking energy: -152.989
Base-Backbone interact. energy: -1.171
local terms energy: -155.232628
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -38.843
Dist. restrs. and SS energy: 0.090 (S_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: 421
Temperature: 0.950000
Total energy: -536.408335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.408335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.559619 (E_RNA)
where:
Base-Base interactions energy: -380.385
where: short stacking energy: -148.926
Base-Backbone interact. energy: -0.591
local terms energy: -155.582948
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -30.505
flat angles C4'-P-C4' energy: -34.340
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -40.401
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -507.167966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.167966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.544165 (E_RNA)
where:
Base-Base interactions energy: -357.832
where: short stacking energy: -152.312
Base-Backbone interact. energy: 2.434
local terms energy: -152.147048
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -40.188
Dist. restrs. and SS energy: 0.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -494.465378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.465378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.684638 (E_RNA)
where:
Base-Base interactions energy: -342.437
where: short stacking energy: -138.497
Base-Backbone interact. energy: -0.528
local terms energy: -151.720366
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.219 (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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -493.000260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.000260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.180184 (E_RNA)
where:
Base-Base interactions energy: -346.986
where: short stacking energy: -145.034
Base-Backbone interact. energy: 0.283
local terms energy: -146.476660
where:
bonds (distance) C4'-P energy: -31.668
bonds (distance) P-C4' energy: -29.624
flat angles C4'-P-C4' energy: -33.514
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -34.389
Dist. restrs. and SS energy: 0.180 (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: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -483.767653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.767653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.861430 (E_RNA)
where:
Base-Base interactions energy: -347.540
where: short stacking energy: -139.849
Base-Backbone interact. energy: -0.387
local terms energy: -135.934657
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -24.975
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -459.474734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.474734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.672775 (E_RNA)
where:
Base-Base interactions energy: -332.931
where: short stacking energy: -124.852
Base-Backbone interact. energy: -0.412
local terms energy: -126.330029
where:
bonds (distance) C4'-P energy: -24.385
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -28.558
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -32.588
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -455.498957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.498957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.541432 (E_RNA)
where:
Base-Base interactions energy: -321.950
where: short stacking energy: -116.703
Base-Backbone interact. energy: -1.011
local terms energy: -132.581052
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -23.736
flat angles C4'-P-C4' energy: -25.945
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -34.452
Dist. restrs. and SS energy: 0.042 (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: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -438.438143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.438143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.650305 (E_RNA)
where:
Base-Base interactions energy: -306.030
where: short stacking energy: -113.316
Base-Backbone interact. energy: -1.042
local terms energy: -131.578193
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -26.931
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -29.435
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -425.979542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.979542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.448444 (E_RNA)
where:
Base-Base interactions energy: -305.969
where: short stacking energy: -118.205
Base-Backbone interact. energy: -0.485
local terms energy: -119.995214
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -540.184365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.184365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.340317 (E_RNA)
where:
Base-Base interactions energy: -373.928
where: short stacking energy: -154.416
Base-Backbone interact. energy: -0.387
local terms energy: -166.025194
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -39.210
Dist. restrs. and SS energy: 0.156 (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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -519.584268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.584268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.838347 (E_RNA)
where:
Base-Base interactions energy: -372.802
where: short stacking energy: -153.740
Base-Backbone interact. energy: -0.149
local terms energy: -146.886983
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -26.078
flat angles C4'-P-C4' energy: -31.984
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -42.308
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -490.213783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.213783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.281869 (E_RNA)
where:
Base-Base interactions energy: -352.394
where: short stacking energy: -140.598
Base-Backbone interact. energy: -0.760
local terms energy: -137.128757
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -29.998
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -33.404
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -510.495927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.495927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.533235 (E_RNA)
where:
Base-Base interactions energy: -359.550
where: short stacking energy: -147.767
Base-Backbone interact. energy: -1.503
local terms energy: -149.479361
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -34.563
Dist. restrs. and SS energy: 0.037 (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: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -500.660089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.762605 (E_RNA)
where:
Base-Base interactions energy: -362.207
where: short stacking energy: -142.370
Base-Backbone interact. energy: 0.356
local terms energy: -138.911720
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -24.616
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.103 (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: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -487.261608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.296759 (E_RNA)
where:
Base-Base interactions energy: -352.411
where: short stacking energy: -136.157
Base-Backbone interact. energy: -1.005
local terms energy: -133.880805
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -30.859
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -38.301
Dist. restrs. and SS energy: 0.035 (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: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -457.552307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.552307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.797753 (E_RNA)
where:
Base-Base interactions energy: -317.797
where: short stacking energy: -123.041
Base-Backbone interact. energy: 0.135
local terms energy: -140.136091
where:
bonds (distance) C4'-P energy: -32.363
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -29.237
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -475.825774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.825774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.260441 (E_RNA)
where:
Base-Base interactions energy: -338.433
where: short stacking energy: -134.590
Base-Backbone interact. energy: -0.353
local terms energy: -137.475149
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -27.055
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -34.581
Dist. restrs. and SS energy: 0.435 (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: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -438.192482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.192482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.443493 (E_RNA)
where:
Base-Base interactions energy: -319.229
where: short stacking energy: -125.059
Base-Backbone interact. energy: -1.053
local terms energy: -118.161115
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -24.656
flat angles C4'-P-C4' energy: -22.868
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -33.821
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -411.999322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.999322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.263147 (E_RNA)
where:
Base-Base interactions energy: -301.403
where: short stacking energy: -114.877
Base-Backbone interact. energy: 1.579
local terms energy: -112.439291
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.264 (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: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -537.189114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.189114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.622435 (E_RNA)
where:
Base-Base interactions energy: -387.153
where: short stacking energy: -158.048
Base-Backbone interact. energy: -0.524
local terms energy: -149.945530
where:
bonds (distance) C4'-P energy: -29.471
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -43.431
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -510.521299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.521299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.626313 (E_RNA)
where:
Base-Base interactions energy: -356.111
where: short stacking energy: -139.618
Base-Backbone interact. energy: -0.361
local terms energy: -154.153965
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -36.019
Dist. restrs. and SS energy: 0.105 (S_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: 423
Temperature: 1.000000
Total energy: -526.304540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.304540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.491813 (E_RNA)
where:
Base-Base interactions energy: -367.973
where: short stacking energy: -148.538
Base-Backbone interact. energy: 0.045
local terms energy: -158.563436
where:
bonds (distance) C4'-P energy: -27.011
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -42.536
Dist. restrs. and SS energy: 0.187 (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: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -510.975192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.975192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.165142 (E_RNA)
where:
Base-Base interactions energy: -363.560
where: short stacking energy: -141.787
Base-Backbone interact. energy: -0.041
local terms energy: -147.564343
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -30.992
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -34.201
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -498.056622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.056622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.230813 (E_RNA)
where:
Base-Base interactions energy: -356.956
where: short stacking energy: -142.008
Base-Backbone interact. energy: -0.595
local terms energy: -140.679943
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -33.601
Dist. restrs. and SS energy: 0.174 (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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -486.435121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.435121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.829981 (E_RNA)
where:
Base-Base interactions energy: -342.231
where: short stacking energy: -143.649
Base-Backbone interact. energy: 1.827
local terms energy: -146.425896
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -38.122
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: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -474.698251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.698251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.840164 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -141.280
Base-Backbone interact. energy: 1.263
local terms energy: -131.146062
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -15.910
tors. eta vs tors. theta energy: -38.579
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -460.114712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.114712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.793515 (E_RNA)
where:
Base-Base interactions energy: -325.077
where: short stacking energy: -131.980
Base-Backbone interact. energy: -0.117
local terms energy: -135.599611
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -32.301
Dist. restrs. and SS energy: 0.679 (S_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: 423
Temperature: 1.300000
Total energy: -429.555075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.555075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.845163 (E_RNA)
where:
Base-Base interactions energy: -306.728
where: short stacking energy: -110.899
Base-Backbone interact. energy: -0.516
local terms energy: -122.601598
where:
bonds (distance) C4'-P energy: -22.889
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -417.547448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.547448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.772122 (E_RNA)
where:
Base-Base interactions energy: -292.396
where: short stacking energy: -121.023
Base-Backbone interact. energy: -0.250
local terms energy: -125.125910
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.225 (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: 424
Temperature: 0.900000
Total energy: -533.071368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.071368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.262046 (E_RNA)
where:
Base-Base interactions energy: -377.436
where: short stacking energy: -155.878
Base-Backbone interact. energy: -0.554
local terms energy: -155.272063
where:
bonds (distance) C4'-P energy: -25.446
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 0.191 (S_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: 424
Temperature: 0.950000
Total energy: -531.538310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.538310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.095945 (E_RNA)
where:
Base-Base interactions energy: -370.619
where: short stacking energy: -159.966
Base-Backbone interact. energy: -0.435
local terms energy: -161.042037
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -43.707
Dist. restrs. and SS energy: 0.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -518.391916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.391916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.519132 (E_RNA)
where:
Base-Base interactions energy: -361.610
where: short stacking energy: -148.219
Base-Backbone interact. energy: -0.374
local terms energy: -156.534989
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -32.194
flat angles C4'-P-C4' energy: -33.393
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -43.785
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -508.783394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.783394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.840868 (E_RNA)
where:
Base-Base interactions energy: -363.547
where: short stacking energy: -143.508
Base-Backbone interact. energy: 3.466
local terms energy: -148.759275
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -22.615
tors. eta vs tors. theta energy: -38.083
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -485.402111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.402111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.694746 (E_RNA)
where:
Base-Base interactions energy: -346.681
where: short stacking energy: -139.606
Base-Backbone interact. energy: 0.021
local terms energy: -139.034585
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -34.947
Dist. restrs. and SS energy: 0.293 (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: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -481.332175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.332175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.465768 (E_RNA)
where:
Base-Base interactions energy: -338.534
where: short stacking energy: -124.458
Base-Backbone interact. energy: -0.156
local terms energy: -142.775560
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -37.891
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -470.333305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.333305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.631299 (E_RNA)
where:
Base-Base interactions energy: -334.736
where: short stacking energy: -132.222
Base-Backbone interact. energy: -0.780
local terms energy: -135.114909
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -27.681
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -32.757
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -458.368168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.368168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.640167 (E_RNA)
where:
Base-Base interactions energy: -332.937
where: short stacking energy: -134.233
Base-Backbone interact. energy: 1.501
local terms energy: -127.204063
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -31.477
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -448.239874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.239874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.684785 (E_RNA)
where:
Base-Base interactions energy: -321.835
where: short stacking energy: -125.216
Base-Backbone interact. energy: -0.523
local terms energy: -126.326042
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -28.982
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -422.418287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.418287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.462763 (E_RNA)
where:
Base-Base interactions energy: -301.719
where: short stacking energy: -112.481
Base-Backbone interact. energy: 1.516
local terms energy: -123.259429
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -519.195139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.195139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.206321 (E_RNA)
where:
Base-Base interactions energy: -360.545
where: short stacking energy: -146.555
Base-Backbone interact. energy: -0.640
local terms energy: -158.021258
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -32.003
flat angles C4'-P-C4' energy: -35.312
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -43.360
Dist. restrs. and SS energy: 0.011 (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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -530.154951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.154951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.292131 (E_RNA)
where:
Base-Base interactions energy: -378.467
where: short stacking energy: -154.796
Base-Backbone interact. energy: 1.631
local terms energy: -153.455906
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -30.654
flat angles P-C4'-P energy: -26.515
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -502.069714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.069714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.282874 (E_RNA)
where:
Base-Base interactions energy: -356.000
where: short stacking energy: -146.601
Base-Backbone interact. energy: -1.081
local terms energy: -145.202131
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -37.871
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -492.675306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.675306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.961554 (E_RNA)
where:
Base-Base interactions energy: -356.125
where: short stacking energy: -142.409
Base-Backbone interact. energy: -0.507
local terms energy: -136.328973
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -504.917946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.917946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.061331 (E_RNA)
where:
Base-Base interactions energy: -361.106
where: short stacking energy: -142.528
Base-Backbone interact. energy: 2.693
local terms energy: -146.647792
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -21.070
tors. eta vs tors. theta energy: -41.118
Dist. restrs. and SS energy: 0.143 (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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -484.322412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.322412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.701357 (E_RNA)
where:
Base-Base interactions energy: -346.500
where: short stacking energy: -130.806
Base-Backbone interact. energy: 4.241
local terms energy: -142.443134
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -30.265
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -35.854
Dist. restrs. and SS energy: 0.379 (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: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -469.833598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.833598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.374333 (E_RNA)
where:
Base-Base interactions energy: -338.193
where: short stacking energy: -136.584
Base-Backbone interact. energy: -0.415
local terms energy: -131.766449
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -39.504
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: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -447.770015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.770015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.980224 (E_RNA)
where:
Base-Base interactions energy: -324.077
where: short stacking energy: -137.759
Base-Backbone interact. energy: -0.641
local terms energy: -124.262519
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -32.655
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -453.927500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.927500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.531245 (E_RNA)
where:
Base-Base interactions energy: -318.869
where: short stacking energy: -119.296
Base-Backbone interact. energy: -1.384
local terms energy: -134.278816
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -26.024
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -427.186517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.186517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.563589 (E_RNA)
where:
Base-Base interactions energy: -301.586
where: short stacking energy: -118.037
Base-Backbone interact. energy: -0.010
local terms energy: -125.967849
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -31.586
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.377 (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: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -533.143437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.143437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.201920 (E_RNA)
where:
Base-Base interactions energy: -375.173
where: short stacking energy: -151.495
Base-Backbone interact. energy: -0.598
local terms energy: -157.431483
where:
bonds (distance) C4'-P energy: -31.309
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -27.550
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -39.836
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -516.573417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.573417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.602922 (E_RNA)
where:
Base-Base interactions energy: -366.305
where: short stacking energy: -149.547
Base-Backbone interact. energy: -0.716
local terms energy: -149.581714
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -38.623
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -510.775799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.775799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.019497 (E_RNA)
where:
Base-Base interactions energy: -366.188
where: short stacking energy: -140.392
Base-Backbone interact. energy: -0.556
local terms energy: -144.275003
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -34.173
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -503.969524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.969524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.121830 (E_RNA)
where:
Base-Base interactions energy: -369.425
where: short stacking energy: -151.040
Base-Backbone interact. energy: -0.548
local terms energy: -134.148826
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -22.401
flat angles C4'-P-C4' energy: -29.378
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.152 (S_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: 426
Temperature: 1.100000
Total energy: -486.425447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.425447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.722801 (E_RNA)
where:
Base-Base interactions energy: -352.673
where: short stacking energy: -146.248
Base-Backbone interact. energy: 0.593
local terms energy: -134.642845
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -34.426
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -491.314604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.314604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.472625 (E_RNA)
where:
Base-Base interactions energy: -344.636
where: short stacking energy: -143.818
Base-Backbone interact. energy: -0.505
local terms energy: -146.331661
where:
bonds (distance) C4'-P energy: -30.633
bonds (distance) P-C4' energy: -27.726
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -481.221394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.221394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.316272 (E_RNA)
where:
Base-Base interactions energy: -350.313
where: short stacking energy: -127.218
Base-Backbone interact. energy: -0.409
local terms energy: -130.594679
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -30.545
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -37.684
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -449.990251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.990251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.176405 (E_RNA)
where:
Base-Base interactions energy: -326.308
where: short stacking energy: -123.697
Base-Backbone interact. energy: -0.933
local terms energy: -122.934948
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -30.290
Dist. restrs. and SS energy: 0.186 (S_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: 426
Temperature: 1.300000
Total energy: -463.126865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.126865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.881583 (E_RNA)
where:
Base-Base interactions energy: -326.882
where: short stacking energy: -132.218
Base-Backbone interact. energy: -0.549
local terms energy: -136.450845
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -31.477
Dist. restrs. and SS energy: 0.755 (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: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -405.004230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.004230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.400098 (E_RNA)
where:
Base-Base interactions energy: -295.425
where: short stacking energy: -122.278
Base-Backbone interact. energy: 0.707
local terms energy: -110.681900
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -26.472
Dist. restrs. and SS energy: 0.396 (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: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -550.555665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.555665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.791579 (E_RNA)
where:
Base-Base interactions energy: -380.636
where: short stacking energy: -158.870
Base-Backbone interact. energy: -0.782
local terms energy: -169.373068
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -31.852
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -41.808
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -519.921264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.921264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.137761 (E_RNA)
where:
Base-Base interactions energy: -372.400
where: short stacking energy: -152.903
Base-Backbone interact. energy: -0.132
local terms energy: -147.606049
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -30.863
flat angles C4'-P-C4' energy: -32.392
flat angles P-C4'-P energy: -22.361
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.216 (S_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: 427
Temperature: 1.000000
Total energy: -519.182126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.182126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.207016 (E_RNA)
where:
Base-Base interactions energy: -370.550
where: short stacking energy: -145.018
Base-Backbone interact. energy: -0.538
local terms energy: -148.118854
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -495.797297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.797297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.982346 (E_RNA)
where:
Base-Base interactions energy: -348.716
where: short stacking energy: -139.746
Base-Backbone interact. energy: -0.588
local terms energy: -146.677669
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -34.569
Dist. restrs. and SS energy: 0.185 (S_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: 427
Temperature: 1.100000
Total energy: -504.224510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.224510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.427121 (E_RNA)
where:
Base-Base interactions energy: -345.612
where: short stacking energy: -142.619
Base-Backbone interact. energy: 0.227
local terms energy: -159.042446
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -42.622
Dist. restrs. and SS energy: 0.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -466.210350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.210350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.347223 (E_RNA)
where:
Base-Base interactions energy: -328.560
where: short stacking energy: -120.171
Base-Backbone interact. energy: -0.967
local terms energy: -136.820390
where:
bonds (distance) C4'-P energy: -27.392
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.137 (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: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -489.329489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.329489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.461932 (E_RNA)
where:
Base-Base interactions energy: -348.885
where: short stacking energy: -143.386
Base-Backbone interact. energy: -0.514
local terms energy: -140.062784
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -38.603
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -449.072791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.072791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.250706 (E_RNA)
where:
Base-Base interactions energy: -320.668
where: short stacking energy: -124.054
Base-Backbone interact. energy: -1.204
local terms energy: -127.378979
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -31.897
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -426.698288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.698288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.972306 (E_RNA)
where:
Base-Base interactions energy: -315.273
where: short stacking energy: -119.314
Base-Backbone interact. energy: -1.428
local terms energy: -110.271462
where:
bonds (distance) C4'-P energy: -23.123
bonds (distance) P-C4' energy: -25.193
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -26.582
Dist. restrs. and SS energy: 0.274 (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: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -417.018636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.018636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.183340 (E_RNA)
where:
Base-Base interactions energy: -297.589
where: short stacking energy: -106.449
Base-Backbone interact. energy: -0.274
local terms energy: -119.319717
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -538.469460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.469460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.620388 (E_RNA)
where:
Base-Base interactions energy: -380.132
where: short stacking energy: -157.135
Base-Backbone interact. energy: 0.113
local terms energy: -158.601458
where:
bonds (distance) C4'-P energy: -31.688
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -37.599
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -526.714150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.714150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.850139 (E_RNA)
where:
Base-Base interactions energy: -373.781
where: short stacking energy: -156.693
Base-Backbone interact. energy: 0.080
local terms energy: -153.148981
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -41.239
Dist. restrs. and SS energy: 0.136 (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: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -507.067615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.067615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.137370 (E_RNA)
where:
Base-Base interactions energy: -359.094
where: short stacking energy: -153.036
Base-Backbone interact. energy: -0.401
local terms energy: -147.642187
where:
bonds (distance) C4'-P energy: -25.595
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -504.566261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.566261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.582998 (E_RNA)
where:
Base-Base interactions energy: -363.458
where: short stacking energy: -139.028
Base-Backbone interact. energy: -0.407
local terms energy: -140.718338
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -35.388
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -488.959364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.959364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.202749 (E_RNA)
where:
Base-Base interactions energy: -345.073
where: short stacking energy: -135.146
Base-Backbone interact. energy: 0.559
local terms energy: -144.688806
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -38.099
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -489.886451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.886451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.261132 (E_RNA)
where:
Base-Base interactions energy: -349.249
where: short stacking energy: -143.371
Base-Backbone interact. energy: -0.360
local terms energy: -140.651758
where:
bonds (distance) C4'-P energy: -23.189
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -32.179
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -39.447
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -469.075820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.075820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.303472 (E_RNA)
where:
Base-Base interactions energy: -339.905
where: short stacking energy: -137.160
Base-Backbone interact. energy: -0.886
local terms energy: -128.512349
where:
bonds (distance) C4'-P energy: -25.709
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.228 (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: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -451.331222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.331222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.872193 (E_RNA)
where:
Base-Base interactions energy: -315.678
where: short stacking energy: -125.674
Base-Backbone interact. energy: -0.629
local terms energy: -135.565635
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -26.414
flat angles C4'-P-C4' energy: -28.404
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -28.880
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: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -438.267400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.267400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.452323 (E_RNA)
where:
Base-Base interactions energy: -312.914
where: short stacking energy: -120.205
Base-Backbone interact. energy: -0.536
local terms energy: -125.002677
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -32.635
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.185 (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: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -418.792167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.792167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.953410 (E_RNA)
where:
Base-Base interactions energy: -309.943
where: short stacking energy: -113.581
Base-Backbone interact. energy: 0.078
local terms energy: -109.087917
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -535.631896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.631896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.752463 (E_RNA)
where:
Base-Base interactions energy: -383.725
where: short stacking energy: -149.260
Base-Backbone interact. energy: -0.341
local terms energy: -151.686510
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -22.199
tors. eta vs tors. theta energy: -41.026
Dist. restrs. and SS energy: 0.121 (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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -519.483863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.483863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.907073 (E_RNA)
where:
Base-Base interactions energy: -360.222
where: short stacking energy: -151.384
Base-Backbone interact. energy: -0.552
local terms energy: -159.132989
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -30.385
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -505.839976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.839976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.531279 (E_RNA)
where:
Base-Base interactions energy: -361.619
where: short stacking energy: -143.563
Base-Backbone interact. energy: -0.447
local terms energy: -144.465041
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -42.715
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -499.347656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.347656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.404619 (E_RNA)
where:
Base-Base interactions energy: -358.174
where: short stacking energy: -150.018
Base-Backbone interact. energy: 0.003
local terms energy: -141.233461
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -40.779
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -496.144335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.144335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.360979 (E_RNA)
where:
Base-Base interactions energy: -353.301
where: short stacking energy: -138.506
Base-Backbone interact. energy: -0.546
local terms energy: -142.514172
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -32.859
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.217 (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: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -481.606274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.606274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.160171 (E_RNA)
where:
Base-Base interactions energy: -338.361
where: short stacking energy: -138.974
Base-Backbone interact. energy: -0.351
local terms energy: -143.448787
where:
bonds (distance) C4'-P energy: -32.023
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -20.963
tors. eta vs tors. theta energy: -35.414
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -470.270301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.270301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.851397 (E_RNA)
where:
Base-Base interactions energy: -335.068
where: short stacking energy: -141.376
Base-Backbone interact. energy: -0.297
local terms energy: -135.486746
where:
bonds (distance) C4'-P energy: -27.524
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -36.330
Dist. restrs. and SS energy: 0.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -430.984960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.984960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.486335 (E_RNA)
where:
Base-Base interactions energy: -306.716
where: short stacking energy: -117.918
Base-Backbone interact. energy: 0.508
local terms energy: -125.277740
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -29.101
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -458.222537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.222537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.730345 (E_RNA)
where:
Base-Base interactions energy: -328.614
where: short stacking energy: -130.880
Base-Backbone interact. energy: 1.492
local terms energy: -131.608724
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -30.301
Dist. restrs. and SS energy: 0.508 (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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -393.097533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.097533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.561785 (E_RNA)
where:
Base-Base interactions energy: -288.064
where: short stacking energy: -109.375
Base-Backbone interact. energy: -0.365
local terms energy: -105.133296
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.464 (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: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -543.123461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.123461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.320025 (E_RNA)
where:
Base-Base interactions energy: -391.910
where: short stacking energy: -157.219
Base-Backbone interact. energy: 0.830
local terms energy: -152.240030
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -519.270000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.270000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.802198 (E_RNA)
where:
Base-Base interactions energy: -368.731
where: short stacking energy: -156.362
Base-Backbone interact. energy: -0.307
local terms energy: -150.763414
where:
bonds (distance) C4'-P energy: -25.716
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -41.180
Dist. restrs. and SS energy: 0.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -514.761689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.761689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.841110 (E_RNA)
where:
Base-Base interactions energy: -359.026
where: short stacking energy: -149.015
Base-Backbone interact. energy: 0.785
local terms energy: -156.600602
where:
bonds (distance) C4'-P energy: -27.871
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -36.791
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -498.898583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.898583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.916991 (E_RNA)
where:
Base-Base interactions energy: -353.726
where: short stacking energy: -137.176
Base-Backbone interact. energy: 1.217
local terms energy: -146.407686
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -39.144
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -486.331796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.331796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.769729 (E_RNA)
where:
Base-Base interactions energy: -350.036
where: short stacking energy: -132.632
Base-Backbone interact. energy: -0.646
local terms energy: -136.087787
where:
bonds (distance) C4'-P energy: -23.666
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -31.056
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -35.987
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -468.467008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.467008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.707510 (E_RNA)
where:
Base-Base interactions energy: -335.766
where: short stacking energy: -137.580
Base-Backbone interact. energy: 1.916
local terms energy: -134.858024
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -31.889
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -34.414
Dist. restrs. and SS energy: 0.241 (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: 430
Temperature: 1.200000
Total energy: -467.104968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.104968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.788834 (E_RNA)
where:
Base-Base interactions energy: -327.317
where: short stacking energy: -126.085
Base-Backbone interact. energy: -0.640
local terms energy: -139.832103
where:
bonds (distance) C4'-P energy: -28.162
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -38.411
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -430.568745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.568745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.062432 (E_RNA)
where:
Base-Base interactions energy: -300.309
where: short stacking energy: -125.671
Base-Backbone interact. energy: -0.019
local terms energy: -130.733815
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -29.891
flat angles C4'-P-C4' energy: -25.798
flat angles P-C4'-P energy: -19.010
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -448.128336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.128336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.469644 (E_RNA)
where:
Base-Base interactions energy: -324.034
where: short stacking energy: -120.638
Base-Backbone interact. energy: 0.484
local terms energy: -124.919502
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -30.145
Dist. restrs. and SS energy: 0.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -425.137274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.137274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.541256 (E_RNA)
where:
Base-Base interactions energy: -292.551
where: short stacking energy: -107.904
Base-Backbone interact. energy: 0.998
local terms energy: -133.988532
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -30.390
Dist. restrs. and SS energy: 0.404 (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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -538.323401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.323401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.403063 (E_RNA)
where:
Base-Base interactions energy: -382.348
where: short stacking energy: -155.484
Base-Backbone interact. energy: -0.533
local terms energy: -155.522514
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -29.107
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -40.137
Dist. restrs. and SS energy: 0.080 (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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -524.202253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.202253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.336117 (E_RNA)
where:
Base-Base interactions energy: -374.441
where: short stacking energy: -143.113
Base-Backbone interact. energy: -0.826
local terms energy: -149.068892
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -42.368
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. 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: -509.657165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.657165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.860400 (E_RNA)
where:
Base-Base interactions energy: -359.739
where: short stacking energy: -145.870
Base-Backbone interact. energy: -0.384
local terms energy: -149.736923
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -30.631
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -26.637
tors. eta vs tors. theta energy: -36.749
Dist. restrs. and SS energy: 0.203 (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: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -503.179846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.179846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.214525 (E_RNA)
where:
Base-Base interactions energy: -361.110
where: short stacking energy: -137.523
Base-Backbone interact. energy: -1.239
local terms energy: -140.865030
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -37.024
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -485.706555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.706555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.222692 (E_RNA)
where:
Base-Base interactions energy: -341.659
where: short stacking energy: -136.598
Base-Backbone interact. energy: -0.203
local terms energy: -144.360690
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -33.237
Dist. restrs. and SS energy: 0.516 (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: 431
Temperature: 1.150000
Total energy: -480.686598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.686598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.888634 (E_RNA)
where:
Base-Base interactions energy: -338.743
where: short stacking energy: -135.009
Base-Backbone interact. energy: 1.327
local terms energy: -143.472831
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: -36.254
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -474.653618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.653618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.951640 (E_RNA)
where:
Base-Base interactions energy: -342.642
where: short stacking energy: -146.479
Base-Backbone interact. energy: -0.517
local terms energy: -131.793131
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -37.634
Dist. restrs. and SS energy: 0.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -457.319922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.319922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.798591 (E_RNA)
where:
Base-Base interactions energy: -329.071
where: short stacking energy: -134.552
Base-Backbone interact. energy: -1.903
local terms energy: -126.824736
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.479 (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: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -448.365494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.365494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.143793 (E_RNA)
where:
Base-Base interactions energy: -323.007
where: short stacking energy: -132.467
Base-Backbone interact. energy: 1.481
local terms energy: -127.617653
where:
bonds (distance) C4'-P energy: -30.007
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -29.940
Dist. restrs. and SS energy: 0.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -403.523021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.523021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.100378 (E_RNA)
where:
Base-Base interactions energy: -289.795
where: short stacking energy: -101.050
Base-Backbone interact. energy: -0.696
local terms energy: -113.609711
where:
bonds (distance) C4'-P energy: -25.708
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -538.451551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.451551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.679057 (E_RNA)
where:
Base-Base interactions energy: -384.816
where: short stacking energy: -149.795
Base-Backbone interact. energy: -0.561
local terms energy: -153.302055
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -30.494
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -43.157
Dist. restrs. and SS energy: 0.228 (S_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: 432
Temperature: 0.950000
Total energy: -522.463112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.463112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.529114 (E_RNA)
where:
Base-Base interactions energy: -369.435
where: short stacking energy: -152.703
Base-Backbone interact. energy: 0.006
local terms energy: -153.099711
where:
bonds (distance) C4'-P energy: -31.110
bonds (distance) P-C4' energy: -29.180
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -44.953
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -505.117232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.117232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.339387 (E_RNA)
where:
Base-Base interactions energy: -351.480
where: short stacking energy: -141.108
Base-Backbone interact. energy: -0.157
local terms energy: -153.703213
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -28.665
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -501.527152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.527152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.648106 (E_RNA)
where:
Base-Base interactions energy: -355.124
where: short stacking energy: -139.658
Base-Backbone interact. energy: 0.335
local terms energy: -146.858450
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -31.290
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -39.602
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. 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: -483.501808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.501808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.161214 (E_RNA)
where:
Base-Base interactions energy: -339.631
where: short stacking energy: -143.337
Base-Backbone interact. energy: -0.650
local terms energy: -143.880332
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: 0.659 (S_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: -471.019236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.019236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.229647 (E_RNA)
where:
Base-Base interactions energy: -337.778
where: short stacking energy: -131.555
Base-Backbone interact. energy: -1.341
local terms energy: -132.111083
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: -32.885
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -465.695777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.695777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.808255 (E_RNA)
where:
Base-Base interactions energy: -336.727
where: short stacking energy: -132.074
Base-Backbone interact. energy: -0.776
local terms energy: -128.306008
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -24.997
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -14.802
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -455.593487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.593487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.906046 (E_RNA)
where:
Base-Base interactions energy: -323.342
where: short stacking energy: -125.316
Base-Backbone interact. energy: -0.553
local terms energy: -132.011046
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -30.402
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -428.237188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.237188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.457462 (E_RNA)
where:
Base-Base interactions energy: -310.193
where: short stacking energy: -119.389
Base-Backbone interact. energy: 0.346
local terms energy: -118.609848
where:
bonds (distance) C4'-P energy: -23.317
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -25.806
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -27.609
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -424.016469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.016469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.878220 (E_RNA)
where:
Base-Base interactions energy: -300.006
where: short stacking energy: -127.487
Base-Backbone interact. energy: -1.242
local terms energy: -123.630585
where:
bonds (distance) C4'-P energy: -23.103
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -31.385
Dist. restrs. and SS energy: 0.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -535.482051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.482051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.540375 (E_RNA)
where:
Base-Base interactions energy: -379.471
where: short stacking energy: -156.677
Base-Backbone interact. energy: -0.849
local terms energy: -155.220093
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -27.461
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -42.371
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -513.140901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.140901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.276257 (E_RNA)
where:
Base-Base interactions energy: -367.497
where: short stacking energy: -150.972
Base-Backbone interact. energy: 1.259
local terms energy: -147.038468
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.135 (S_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: 433
Temperature: 1.000000
Total energy: -524.563669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.563669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.653826 (E_RNA)
where:
Base-Base interactions energy: -365.869
where: short stacking energy: -144.758
Base-Backbone interact. energy: -1.358
local terms energy: -157.427190
where:
bonds (distance) C4'-P energy: -32.851
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -31.934
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -41.705
Dist. restrs. and SS energy: 0.090 (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: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -514.292944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.292944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.427253 (E_RNA)
where:
Base-Base interactions energy: -360.974
where: short stacking energy: -140.758
Base-Backbone interact. energy: -0.174
local terms energy: -153.279227
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -31.617
flat angles C4'-P-C4' energy: -32.353
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -40.612
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -485.526374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.526374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.663731 (E_RNA)
where:
Base-Base interactions energy: -345.355
where: short stacking energy: -131.785
Base-Backbone interact. energy: 0.923
local terms energy: -141.231629
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -32.791
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -31.386
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -481.703710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.703710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.714446 (E_RNA)
where:
Base-Base interactions energy: -346.283
where: short stacking energy: -130.377
Base-Backbone interact. energy: 0.356
local terms energy: -135.787981
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -19.685
tors. eta vs tors. theta energy: -31.264
Dist. restrs. and SS energy: 0.011 (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: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -471.701400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.701400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.382692 (E_RNA)
where:
Base-Base interactions energy: -337.081
where: short stacking energy: -140.376
Base-Backbone interact. energy: -1.415
local terms energy: -133.886420
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -18.581
tors. eta vs tors. theta energy: -33.796
Dist. restrs. and SS energy: 0.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -444.466217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.466217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.564050 (E_RNA)
where:
Base-Base interactions energy: -312.987
where: short stacking energy: -120.241
Base-Backbone interact. energy: -0.379
local terms energy: -132.197722
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -34.302
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: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -440.845054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.845054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.285900 (E_RNA)
where:
Base-Base interactions energy: -319.112
where: short stacking energy: -132.855
Base-Backbone interact. energy: -1.556
local terms energy: -120.617865
where:
bonds (distance) C4'-P energy: -25.963
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -33.045
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -412.062183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.241572 (E_RNA)
where:
Base-Base interactions energy: -291.004
where: short stacking energy: -120.262
Base-Backbone interact. energy: -0.761
local terms energy: -120.476060
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -30.844
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -528.201746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.201746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.479898 (E_RNA)
where:
Base-Base interactions energy: -370.386
where: short stacking energy: -149.902
Base-Backbone interact. energy: -1.020
local terms energy: -157.073662
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -38.298
Dist. restrs. and SS energy: 0.278 (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: 434
Temperature: 0.950000
Total energy: -510.008794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.008794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.015573 (E_RNA)
where:
Base-Base interactions energy: -355.485
where: short stacking energy: -138.227
Base-Backbone interact. energy: 0.293
local terms energy: -154.824276
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -32.834
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.007 (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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -506.711671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.711671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.220700 (E_RNA)
where:
Base-Base interactions energy: -360.119
where: short stacking energy: -147.798
Base-Backbone interact. energy: 0.068
local terms energy: -147.169769
where:
bonds (distance) C4'-P energy: -26.491
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -40.858
Dist. restrs. and SS energy: 0.509 (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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -509.438844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.438844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.578315 (E_RNA)
where:
Base-Base interactions energy: -369.784
where: short stacking energy: -147.350
Base-Backbone interact. energy: -0.798
local terms energy: -138.996497
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -37.189
Dist. restrs. and SS energy: 0.139 (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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -496.322632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.322632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.631604 (E_RNA)
where:
Base-Base interactions energy: -347.616
where: short stacking energy: -143.067
Base-Backbone interact. energy: -0.081
local terms energy: -148.934578
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -33.146
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -38.609
Dist. restrs. and SS energy: 0.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -473.567590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.567590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.716935 (E_RNA)
where:
Base-Base interactions energy: -341.314
where: short stacking energy: -139.664
Base-Backbone interact. energy: -0.416
local terms energy: -131.986108
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -33.101
flat angles P-C4'-P energy: -23.533
tors. eta vs tors. theta energy: -32.008
Dist. restrs. and SS energy: 0.149 (S_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: 434
Temperature: 1.200000
Total energy: -449.929968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.929968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.009826 (E_RNA)
where:
Base-Base interactions energy: -311.003
where: short stacking energy: -132.718
Base-Backbone interact. energy: -0.338
local terms energy: -138.668853
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -34.037
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -35.531
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -456.024619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.024619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.196437 (E_RNA)
where:
Base-Base interactions energy: -325.347
where: short stacking energy: -135.211
Base-Backbone interact. energy: 0.329
local terms energy: -131.177944
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -27.184
flat angles C4'-P-C4' energy: -27.515
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -32.248
Dist. restrs. and SS energy: 0.172 (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: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -442.478001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.478001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.703630 (E_RNA)
where:
Base-Base interactions energy: -329.348
where: short stacking energy: -124.660
Base-Backbone interact. energy: 4.151
local terms energy: -117.505772
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 0.226 (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: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -445.895879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.895879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.104736 (E_RNA)
where:
Base-Base interactions energy: -322.837
where: short stacking energy: -124.376
Base-Backbone interact. energy: 0.668
local terms energy: -123.936291
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -33.285
Dist. restrs. and SS energy: 0.209 (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: 435
Temperature: 0.900000
Total energy: -532.268339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.268339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.460936 (E_RNA)
where:
Base-Base interactions energy: -373.391
where: short stacking energy: -149.499
Base-Backbone interact. energy: -1.056
local terms energy: -158.014166
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -39.572
Dist. restrs. and SS energy: 0.193 (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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -521.572870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.572870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.574185 (E_RNA)
where:
Base-Base interactions energy: -363.700
where: short stacking energy: -144.262
Base-Backbone interact. energy: -0.587
local terms energy: -157.286710
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -41.698
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -516.804889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.885573 (E_RNA)
where:
Base-Base interactions energy: -363.867
where: short stacking energy: -152.788
Base-Backbone interact. energy: -0.997
local terms energy: -152.021400
where:
bonds (distance) C4'-P energy: -25.731
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -41.240
Dist. restrs. and SS energy: 0.081 (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: 435
Temperature: 1.050000
Total energy: -502.602072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.602072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.718718 (E_RNA)
where:
Base-Base interactions energy: -351.487
where: short stacking energy: -137.193
Base-Backbone interact. energy: -1.034
local terms energy: -150.197348
where:
bonds (distance) C4'-P energy: -25.227
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -38.983
Dist. restrs. and SS energy: 0.117 (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: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -481.982092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.982092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.136339 (E_RNA)
where:
Base-Base interactions energy: -348.329
where: short stacking energy: -137.871
Base-Backbone interact. energy: 0.078
local terms energy: -133.885308
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -27.236
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -38.822
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -459.177052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.177052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.486785 (E_RNA)
where:
Base-Base interactions energy: -328.572
where: short stacking energy: -131.655
Base-Backbone interact. energy: 0.881
local terms energy: -131.795130
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -472.908299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.908299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.240108 (E_RNA)
where:
Base-Base interactions energy: -341.925
where: short stacking energy: -126.652
Base-Backbone interact. energy: -0.089
local terms energy: -131.226094
where:
bonds (distance) C4'-P energy: -24.282
bonds (distance) P-C4' energy: -26.077
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -455.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.357898 (E_RNA)
where:
Base-Base interactions energy: -327.451
where: short stacking energy: -120.877
Base-Backbone interact. energy: 2.221
local terms energy: -130.128300
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -30.771
Dist. restrs. and SS energy: 0.082 (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: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -415.885347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.885347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.030788 (E_RNA)
where:
Base-Base interactions energy: -300.257
where: short stacking energy: -115.202
Base-Backbone interact. energy: -1.033
local terms energy: -114.741486
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -29.535
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -431.087246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.087246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.357283 (E_RNA)
where:
Base-Base interactions energy: -310.087
where: short stacking energy: -115.298
Base-Backbone interact. energy: -0.798
local terms energy: -120.472366
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -25.478
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.270 (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: 436
Temperature: 0.900000
Total energy: -540.833459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.833459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.979460 (E_RNA)
where:
Base-Base interactions energy: -383.936
where: short stacking energy: -157.032
Base-Backbone interact. energy: -0.117
local terms energy: -156.925874
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -35.812
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -37.507
Dist. restrs. and SS energy: 0.146 (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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -509.965277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.965277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.074055 (E_RNA)
where:
Base-Base interactions energy: -353.130
where: short stacking energy: -143.564
Base-Backbone interact. energy: -0.059
local terms energy: -156.885191
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -32.163
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -39.444
Dist. restrs. and SS energy: 0.109 (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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -517.421972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.421972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.604446 (E_RNA)
where:
Base-Base interactions energy: -372.527
where: short stacking energy: -154.995
Base-Backbone interact. energy: -0.386
local terms energy: -144.691099
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -35.287
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -518.784272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.784272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.892236 (E_RNA)
where:
Base-Base interactions energy: -365.119
where: short stacking energy: -145.482
Base-Backbone interact. energy: 0.069
local terms energy: -153.842242
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -27.036
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 0.108 (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: 436
Temperature: 1.100000
Total energy: -478.474728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.474728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.618647 (E_RNA)
where:
Base-Base interactions energy: -336.638
where: short stacking energy: -145.144
Base-Backbone interact. energy: -0.223
local terms energy: -141.757305
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -36.567
Dist. restrs. and SS energy: 0.144 (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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -467.661395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.661395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.968096 (E_RNA)
where:
Base-Base interactions energy: -334.422
where: short stacking energy: -138.748
Base-Backbone interact. energy: 2.793
local terms energy: -136.339173
where:
bonds (distance) C4'-P energy: -24.577
bonds (distance) P-C4' energy: -28.404
flat angles C4'-P-C4' energy: -31.335
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -32.356
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -439.398985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.398985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.655693 (E_RNA)
where:
Base-Base interactions energy: -310.188
where: short stacking energy: -119.859
Base-Backbone interact. energy: -0.432
local terms energy: -129.035230
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -453.209478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.209478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.606445 (E_RNA)
where:
Base-Base interactions energy: -328.110
where: short stacking energy: -128.381
Base-Backbone interact. energy: -0.889
local terms energy: -124.607593
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -25.863
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -30.261
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: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -453.899297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.899297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.357821 (E_RNA)
where:
Base-Base interactions energy: -323.914
where: short stacking energy: -127.793
Base-Backbone interact. energy: 0.892
local terms energy: -131.335935
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -27.503
flat angles C4'-P-C4' energy: -27.904
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -35.011
Dist. restrs. and SS energy: 0.459 (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: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -412.726231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.726231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.145843 (E_RNA)
where:
Base-Base interactions energy: -281.816
where: short stacking energy: -112.755
Base-Backbone interact. energy: -0.216
local terms energy: -131.113359
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -31.117
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -542.850629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.850629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.927777 (E_RNA)
where:
Base-Base interactions energy: -391.694
where: short stacking energy: -155.219
Base-Backbone interact. energy: 0.072
local terms energy: -151.306330
where:
bonds (distance) C4'-P energy: -29.208
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -37.188
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -517.953732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.953732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.035397 (E_RNA)
where:
Base-Base interactions energy: -373.422
where: short stacking energy: -144.601
Base-Backbone interact. energy: -0.630
local terms energy: -143.983891
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -38.598
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -515.663984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.663984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.924976 (E_RNA)
where:
Base-Base interactions energy: -352.530
where: short stacking energy: -155.320
Base-Backbone interact. energy: -1.024
local terms energy: -162.371687
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -28.916
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -44.358
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -511.820480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.820480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.046502 (E_RNA)
where:
Base-Base interactions energy: -364.662
where: short stacking energy: -160.597
Base-Backbone interact. energy: -0.991
local terms energy: -146.393136
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -45.185
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -494.399990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.399990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.512265 (E_RNA)
where:
Base-Base interactions energy: -348.588
where: short stacking energy: -141.160
Base-Backbone interact. energy: 0.180
local terms energy: -146.104440
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -32.924
Dist. restrs. and SS energy: 0.112 (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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -484.277207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.277207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.612588 (E_RNA)
where:
Base-Base interactions energy: -346.477
where: short stacking energy: -141.537
Base-Backbone interact. energy: 0.523
local terms energy: -138.659076
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -32.537
Dist. restrs. and SS energy: 0.335 (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: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -450.856590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.856590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.024341 (E_RNA)
where:
Base-Base interactions energy: -323.265
where: short stacking energy: -125.739
Base-Backbone interact. energy: 0.799
local terms energy: -128.559198
where:
bonds (distance) C4'-P energy: -24.633
bonds (distance) P-C4' energy: -32.288
flat angles C4'-P-C4' energy: -23.604
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.168 (S_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: 437
Temperature: 1.250000
Total energy: -455.570003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.570003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.006978 (E_RNA)
where:
Base-Base interactions energy: -335.919
where: short stacking energy: -131.363
Base-Backbone interact. energy: -0.004
local terms energy: -120.083808
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -29.543
flat angles C4'-P-C4' energy: -29.632
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -35.211
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -453.121899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.121899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.336077 (E_RNA)
where:
Base-Base interactions energy: -317.634
where: short stacking energy: -129.031
Base-Backbone interact. energy: -0.465
local terms energy: -135.237220
where:
bonds (distance) C4'-P energy: -22.266
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -33.497
Dist. restrs. and SS energy: 0.214 (S_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: -410.881056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.881056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.422693 (E_RNA)
where:
Base-Base interactions energy: -308.538
where: short stacking energy: -118.481
Base-Backbone interact. energy: 0.126
local terms energy: -103.010718
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -530.855769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.855769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.960773 (E_RNA)
where:
Base-Base interactions energy: -384.581
where: short stacking energy: -150.468
Base-Backbone interact. energy: 0.401
local terms energy: -146.780329
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -36.284
Dist. restrs. and SS energy: 0.105 (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: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -512.585734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.585734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.060938 (E_RNA)
where:
Base-Base interactions energy: -354.632
where: short stacking energy: -152.246
Base-Backbone interact. energy: -1.345
local terms energy: -157.084266
where:
bonds (distance) C4'-P energy: -28.028
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -41.955
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -508.700562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.700562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.822651 (E_RNA)
where:
Base-Base interactions energy: -352.881
where: short stacking energy: -152.356
Base-Backbone interact. energy: -0.548
local terms energy: -155.394096
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -32.575
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -501.070023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.070023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.466024 (E_RNA)
where:
Base-Base interactions energy: -361.005
where: short stacking energy: -148.118
Base-Backbone interact. energy: -0.501
local terms energy: -139.959940
where:
bonds (distance) C4'-P energy: -25.788
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -33.904
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -33.280
Dist. restrs. and SS energy: 0.396 (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: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -476.631046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.631046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.703956 (E_RNA)
where:
Base-Base interactions energy: -350.139
where: short stacking energy: -130.619
Base-Backbone interact. energy: -0.136
local terms energy: -126.429047
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -474.973205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.973205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.081530 (E_RNA)
where:
Base-Base interactions energy: -340.632
where: short stacking energy: -137.578
Base-Backbone interact. energy: -0.774
local terms energy: -133.675558
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -38.177
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -445.291844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.291844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.669475 (E_RNA)
where:
Base-Base interactions energy: -309.396
where: short stacking energy: -126.642
Base-Backbone interact. energy: 0.156
local terms energy: -136.429445
where:
bonds (distance) C4'-P energy: -26.470
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -33.456
Dist. restrs. and SS energy: 0.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -446.098594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.098594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.587770 (E_RNA)
where:
Base-Base interactions energy: -325.449
where: short stacking energy: -128.635
Base-Backbone interact. energy: -0.483
local terms energy: -120.655287
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -31.133
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -436.103303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.103303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.726084 (E_RNA)
where:
Base-Base interactions energy: -313.039
where: short stacking energy: -130.241
Base-Backbone interact. energy: -0.753
local terms energy: -122.933631
where:
bonds (distance) C4'-P energy: -26.726
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -28.122
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -428.585395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.585395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.765443 (E_RNA)
where:
Base-Base interactions energy: -313.873
where: short stacking energy: -118.388
Base-Backbone interact. energy: -0.291
local terms energy: -114.601028
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -30.503
Dist. restrs. and SS energy: 0.180 (S_DIST_RNA)
chem. 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: -539.954076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.954076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.006199 (E_RNA)
where:
Base-Base interactions energy: -379.431
where: short stacking energy: -154.076
Base-Backbone interact. energy: -0.639
local terms energy: -159.936722
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -516.189873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.189873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.223111 (E_RNA)
where:
Base-Base interactions energy: -371.432
where: short stacking energy: -153.689
Base-Backbone interact. energy: -1.220
local terms energy: -143.571975
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -29.006
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -40.308
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -517.509311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.509311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.698251 (E_RNA)
where:
Base-Base interactions energy: -370.507
where: short stacking energy: -151.986
Base-Backbone interact. energy: -0.518
local terms energy: -146.673418
where:
bonds (distance) C4'-P energy: -22.623
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -27.765
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -497.042969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.042969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.335669 (E_RNA)
where:
Base-Base interactions energy: -346.149
where: short stacking energy: -144.787
Base-Backbone interact. energy: -0.142
local terms energy: -151.044020
where:
bonds (distance) C4'-P energy: -26.689
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -40.235
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -508.614979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.614979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.737429 (E_RNA)
where:
Base-Base interactions energy: -356.369
where: short stacking energy: -146.435
Base-Backbone interact. energy: 0.178
local terms energy: -152.545856
where:
bonds (distance) C4'-P energy: -30.500
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -31.790
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -38.172
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -487.570070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.570070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.928758 (E_RNA)
where:
Base-Base interactions energy: -345.033
where: short stacking energy: -132.730
Base-Backbone interact. energy: -0.273
local terms energy: -142.623007
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -36.676
Dist. restrs. and SS energy: 0.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -443.693318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.693318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.024722 (E_RNA)
where:
Base-Base interactions energy: -311.846
where: short stacking energy: -134.113
Base-Backbone interact. energy: -0.071
local terms energy: -132.107872
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.331 (S_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: 439
Temperature: 1.250000
Total energy: -456.345796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.345796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.363924 (E_RNA)
where:
Base-Base interactions energy: -321.992
where: short stacking energy: -119.127
Base-Backbone interact. energy: -0.696
local terms energy: -133.676201
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -32.242
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -420.682504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.682504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.148568 (E_RNA)
where:
Base-Base interactions energy: -292.802
where: short stacking energy: -119.691
Base-Backbone interact. energy: -0.340
local terms energy: -128.006831
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -32.369
Dist. restrs. and SS energy: 0.466 (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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -431.278834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.278834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.918680 (E_RNA)
where:
Base-Base interactions energy: -307.342
where: short stacking energy: -117.892
Base-Backbone interact. energy: -0.291
local terms energy: -124.286353
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -32.853
Dist. restrs. and SS energy: 0.640 (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: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -525.221070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.221070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.862183 (E_RNA)
where:
Base-Base interactions energy: -370.776
where: short stacking energy: -152.400
Base-Backbone interact. energy: -0.522
local terms energy: -154.564389
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -33.779
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -40.312
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -518.144238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.144238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.305325 (E_RNA)
where:
Base-Base interactions energy: -361.088
where: short stacking energy: -138.362
Base-Backbone interact. energy: 0.861
local terms energy: -158.077936
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -38.976
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -530.716751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.716751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.827473 (E_RNA)
where:
Base-Base interactions energy: -373.309
where: short stacking energy: -157.002
Base-Backbone interact. energy: -0.668
local terms energy: -156.850220
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -33.569
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -491.906865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.906865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.068109 (E_RNA)
where:
Base-Base interactions energy: -354.191
where: short stacking energy: -136.108
Base-Backbone interact. energy: -0.634
local terms energy: -137.242428
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -28.951
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -35.145
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -492.253181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.253181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.507549 (E_RNA)
where:
Base-Base interactions energy: -337.862
where: short stacking energy: -140.620
Base-Backbone interact. energy: 0.140
local terms energy: -154.785738
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -30.521
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -465.037821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.037821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.735102 (E_RNA)
where:
Base-Base interactions energy: -330.608
where: short stacking energy: -124.016
Base-Backbone interact. energy: -0.630
local terms energy: -134.497515
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -36.444
Dist. restrs. and SS energy: 0.697 (S_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: 440
Temperature: 1.200000
Total energy: -461.433699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.433699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.890785 (E_RNA)
where:
Base-Base interactions energy: -327.732
where: short stacking energy: -127.298
Base-Backbone interact. energy: 0.002
local terms energy: -134.160655
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -34.183
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -427.337650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.337650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.590217 (E_RNA)
where:
Base-Base interactions energy: -311.538
where: short stacking energy: -121.848
Base-Backbone interact. energy: 0.053
local terms energy: -116.104924
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -27.096
Dist. restrs. and SS energy: 0.253 (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: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -430.140967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.140967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.971992 (E_RNA)
where:
Base-Base interactions energy: -301.109
where: short stacking energy: -112.296
Base-Backbone interact. energy: -0.531
local terms energy: -129.331963
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -27.973
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -417.306995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.306995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.624197 (E_RNA)
where:
Base-Base interactions energy: -293.203
where: short stacking energy: -118.164
Base-Backbone interact. energy: -0.688
local terms energy: -123.733017
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -29.575
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.317 (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: 441
Temperature: 0.900000
Total energy: -536.373108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.373108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.529971 (E_RNA)
where:
Base-Base interactions energy: -377.470
where: short stacking energy: -164.407
Base-Backbone interact. energy: 1.196
local terms energy: -160.255258
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -30.979
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -42.628
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -518.191214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.191214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.509305 (E_RNA)
where:
Base-Base interactions energy: -367.152
where: short stacking energy: -153.979
Base-Backbone interact. energy: -0.996
local terms energy: -150.361547
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -30.081
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -39.621
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -513.593380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.593380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.773776 (E_RNA)
where:
Base-Base interactions energy: -362.049
where: short stacking energy: -146.097
Base-Backbone interact. energy: -0.619
local terms energy: -151.105216
where:
bonds (distance) C4'-P energy: -30.434
bonds (distance) P-C4' energy: -28.673
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -37.562
Dist. restrs. and SS energy: 0.180 (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: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -500.802217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.802217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.225541 (E_RNA)
where:
Base-Base interactions energy: -347.473
where: short stacking energy: -144.699
Base-Backbone interact. energy: 1.081
local terms energy: -154.833436
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -31.972
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -44.052
Dist. restrs. and SS energy: 0.423 (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: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -478.102128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.102128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.273757 (E_RNA)
where:
Base-Base interactions energy: -344.147
where: short stacking energy: -125.808
Base-Backbone interact. energy: 0.491
local terms energy: -134.617269
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -34.272
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -490.102323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.102323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.285187 (E_RNA)
where:
Base-Base interactions energy: -350.573
where: short stacking energy: -149.091
Base-Backbone interact. energy: -0.782
local terms energy: -138.929405
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -467.178004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.178004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.299345 (E_RNA)
where:
Base-Base interactions energy: -328.148
where: short stacking energy: -131.335
Base-Backbone interact. energy: -1.060
local terms energy: -138.090702
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -20.996
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -449.040554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.040554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.490043 (E_RNA)
where:
Base-Base interactions energy: -311.974
where: short stacking energy: -132.343
Base-Backbone interact. energy: -0.312
local terms energy: -137.204212
where:
bonds (distance) C4'-P energy: -30.153
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: 0.449 (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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -440.408697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.408697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.633572 (E_RNA)
where:
Base-Base interactions energy: -308.189
where: short stacking energy: -118.369
Base-Backbone interact. energy: -0.168
local terms energy: -132.276881
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -423.026133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.026133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.927234 (E_RNA)
where:
Base-Base interactions energy: -298.603
where: short stacking energy: -119.099
Base-Backbone interact. energy: -0.393
local terms energy: -124.931141
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -31.939
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -542.330752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.330752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.492343 (E_RNA)
where:
Base-Base interactions energy: -392.966
where: short stacking energy: -157.946
Base-Backbone interact. energy: -0.235
local terms energy: -149.290723
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -522.967527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.967527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.125638 (E_RNA)
where:
Base-Base interactions energy: -372.455
where: short stacking energy: -151.822
Base-Backbone interact. energy: -0.400
local terms energy: -150.271153
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -515.993466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.993466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.200474 (E_RNA)
where:
Base-Base interactions energy: -362.645
where: short stacking energy: -143.067
Base-Backbone interact. energy: 0.244
local terms energy: -153.799316
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -31.717
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -36.509
Dist. restrs. and SS energy: 0.207 (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: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -503.082227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.082227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.258789 (E_RNA)
where:
Base-Base interactions energy: -361.552
where: short stacking energy: -136.589
Base-Backbone interact. energy: -0.744
local terms energy: -140.962929
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -34.327
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -36.029
Dist. restrs. and SS energy: 0.177 (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: 442
Temperature: 1.100000
Total energy: -495.596658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.596658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.754921 (E_RNA)
where:
Base-Base interactions energy: -341.195
where: short stacking energy: -134.951
Base-Backbone interact. energy: -0.543
local terms energy: -155.017549
where:
bonds (distance) C4'-P energy: -29.450
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -22.818
tors. eta vs tors. theta energy: -38.042
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: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -461.523446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.523446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.591815 (E_RNA)
where:
Base-Base interactions energy: -327.378
where: short stacking energy: -124.989
Base-Backbone interact. energy: -0.517
local terms energy: -133.697006
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.068 (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: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -465.291300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.291300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.742293 (E_RNA)
where:
Base-Base interactions energy: -333.151
where: short stacking energy: -128.840
Base-Backbone interact. energy: -1.517
local terms energy: -131.073707
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -463.559169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.559169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.001312 (E_RNA)
where:
Base-Base interactions energy: -337.744
where: short stacking energy: -136.219
Base-Backbone interact. energy: -0.021
local terms energy: -126.236911
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -421.898291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.898291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.382908 (E_RNA)
where:
Base-Base interactions energy: -311.149
where: short stacking energy: -119.397
Base-Backbone interact. energy: -0.284
local terms energy: -110.949566
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -28.721
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -422.273462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.273462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.282750 (E_RNA)
where:
Base-Base interactions energy: -300.647
where: short stacking energy: -124.302
Base-Backbone interact. energy: -0.383
local terms energy: -122.253337
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -535.218603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.218603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.279088 (E_RNA)
where:
Base-Base interactions energy: -383.343
where: short stacking energy: -149.199
Base-Backbone interact. energy: 0.541
local terms energy: -152.477820
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -37.820
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. 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: -531.543196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.543196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.707058 (E_RNA)
where:
Base-Base interactions energy: -374.560
where: short stacking energy: -156.417
Base-Backbone interact. energy: 0.355
local terms energy: -157.501595
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -32.373
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -38.908
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -503.532380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.532380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.821874 (E_RNA)
where:
Base-Base interactions energy: -358.096
where: short stacking energy: -146.869
Base-Backbone interact. energy: -0.752
local terms energy: -144.973654
where:
bonds (distance) C4'-P energy: -26.751
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -33.970
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -516.525377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.525377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.619103 (E_RNA)
where:
Base-Base interactions energy: -367.428
where: short stacking energy: -152.450
Base-Backbone interact. energy: -1.869
local terms energy: -147.322374
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -29.292
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -39.265
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -497.526225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.526225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.917407 (E_RNA)
where:
Base-Base interactions energy: -354.200
where: short stacking energy: -134.441
Base-Backbone interact. energy: -0.592
local terms energy: -143.126101
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -27.671
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -35.941
Dist. restrs. and SS energy: 0.391 (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: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -457.748090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.748090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.048079 (E_RNA)
where:
Base-Base interactions energy: -330.202
where: short stacking energy: -137.827
Base-Backbone interact. energy: -0.320
local terms energy: -127.525926
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -33.692
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -478.536831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.536831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.443292 (E_RNA)
where:
Base-Base interactions energy: -332.398
where: short stacking energy: -141.552
Base-Backbone interact. energy: 1.128
local terms energy: -148.173092
where:
bonds (distance) C4'-P energy: -27.877
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -36.592
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: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -435.758234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.758234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.249180 (E_RNA)
where:
Base-Base interactions energy: -313.902
where: short stacking energy: -115.272
Base-Backbone interact. energy: 0.002
local terms energy: -122.349809
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -24.340
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.491 (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: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -444.408450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.408450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.113727 (E_RNA)
where:
Base-Base interactions energy: -319.780
where: short stacking energy: -128.291
Base-Backbone interact. energy: 0.234
local terms energy: -125.567826
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -17.403
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -385.138437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.138437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.646944 (E_RNA)
where:
Base-Base interactions energy: -289.503
where: short stacking energy: -121.649
Base-Backbone interact. energy: 2.475
local terms energy: -98.618482
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -547.515156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.690630 (E_RNA)
where:
Base-Base interactions energy: -382.288
where: short stacking energy: -167.348
Base-Backbone interact. energy: -0.165
local terms energy: -165.237735
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -27.702
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -46.215
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -528.168014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.168014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.456843 (E_RNA)
where:
Base-Base interactions energy: -375.374
where: short stacking energy: -145.764
Base-Backbone interact. energy: -0.299
local terms energy: -152.783988
where:
bonds (distance) C4'-P energy: -27.343
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -31.908
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -512.301030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.301030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.433769 (E_RNA)
where:
Base-Base interactions energy: -359.039
where: short stacking energy: -151.273
Base-Backbone interact. energy: -0.257
local terms energy: -153.137386
where:
bonds (distance) C4'-P energy: -26.365
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -38.509
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -497.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.988197 (E_RNA)
where:
Base-Base interactions energy: -353.474
where: short stacking energy: -140.630
Base-Backbone interact. energy: -0.863
local terms energy: -143.650422
where:
bonds (distance) C4'-P energy: -25.856
bonds (distance) P-C4' energy: -25.529
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -38.646
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -491.814194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.814194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.519419 (E_RNA)
where:
Base-Base interactions energy: -357.196
where: short stacking energy: -142.286
Base-Backbone interact. energy: 1.595
local terms energy: -136.917813
where:
bonds (distance) C4'-P energy: -26.029
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -39.887
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -481.788821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.788821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.936394 (E_RNA)
where:
Base-Base interactions energy: -344.578
where: short stacking energy: -134.645
Base-Backbone interact. energy: -3.248
local terms energy: -134.110461
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.148 (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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -477.331026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.331026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.821907 (E_RNA)
where:
Base-Base interactions energy: -338.338
where: short stacking energy: -131.886
Base-Backbone interact. energy: -1.578
local terms energy: -137.905788
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -27.363
flat angles C4'-P-C4' energy: -32.803
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -33.113
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -431.118267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.118267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.862376 (E_RNA)
where:
Base-Base interactions energy: -294.585
where: short stacking energy: -124.738
Base-Backbone interact. energy: 0.569
local terms energy: -144.846145
where:
bonds (distance) C4'-P energy: -27.991
bonds (distance) P-C4' energy: -29.521
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -34.498
Dist. restrs. and SS energy: 7.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -429.835026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.835026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.900831 (E_RNA)
where:
Base-Base interactions energy: -295.620
where: short stacking energy: -114.189
Base-Backbone interact. energy: -1.589
local terms energy: -132.691970
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -24.130
flat angles C4'-P-C4' energy: -30.341
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -33.455
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -416.085871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.085871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.302979 (E_RNA)
where:
Base-Base interactions energy: -292.602
where: short stacking energy: -118.243
Base-Backbone interact. energy: -0.046
local terms energy: -124.654245
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -31.077
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: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -530.453995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.453995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.519513 (E_RNA)
where:
Base-Base interactions energy: -375.895
where: short stacking energy: -143.733
Base-Backbone interact. energy: -0.077
local terms energy: -154.547357
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -35.203
Dist. restrs. and SS energy: 0.066 (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: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -518.891452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.891452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.243440 (E_RNA)
where:
Base-Base interactions energy: -369.864
where: short stacking energy: -154.661
Base-Backbone interact. energy: -1.162
local terms energy: -148.217280
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -29.389
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: 0.352 (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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -519.134591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.134591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.320978 (E_RNA)
where:
Base-Base interactions energy: -365.789
where: short stacking energy: -142.907
Base-Backbone interact. energy: -0.494
local terms energy: -153.037917
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -38.575
Dist. restrs. and SS energy: 0.186 (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: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -484.126135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.126135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.310666 (E_RNA)
where:
Base-Base interactions energy: -343.318
where: short stacking energy: -132.668
Base-Backbone interact. energy: -0.831
local terms energy: -140.161617
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -29.846
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -34.682
Dist. restrs. and SS energy: 0.185 (S_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: 445
Temperature: 1.100000
Total energy: -479.903156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.903156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.028433 (E_RNA)
where:
Base-Base interactions energy: -331.382
where: short stacking energy: -128.962
Base-Backbone interact. energy: -1.656
local terms energy: -146.989858
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -35.001
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -496.879199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.879199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.205453 (E_RNA)
where:
Base-Base interactions energy: -355.722
where: short stacking energy: -137.604
Base-Backbone interact. energy: 1.127
local terms energy: -142.609634
where:
bonds (distance) C4'-P energy: -24.902
bonds (distance) P-C4' energy: -29.382
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -38.521
Dist. restrs. and SS energy: 0.326 (S_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: 445
Temperature: 1.200000
Total energy: -465.827178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.827178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.220553 (E_RNA)
where:
Base-Base interactions energy: -328.093
where: short stacking energy: -136.091
Base-Backbone interact. energy: -1.068
local terms energy: -137.059068
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -29.203
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -33.584
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. 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: -434.923458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.923458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.437874 (E_RNA)
where:
Base-Base interactions energy: -310.782
where: short stacking energy: -123.500
Base-Backbone interact. energy: -1.152
local terms energy: -131.504016
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -29.568
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 8.514 (S_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: -437.713999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.713999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.914914 (E_RNA)
where:
Base-Base interactions energy: -313.373
where: short stacking energy: -113.464
Base-Backbone interact. energy: -0.859
local terms energy: -123.682742
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -30.528
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -425.338848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.338848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.805157 (E_RNA)
where:
Base-Base interactions energy: -297.627
where: short stacking energy: -114.860
Base-Backbone interact. energy: 0.187
local terms energy: -128.364957
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.466 (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: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -526.320000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.320000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.355178 (E_RNA)
where:
Base-Base interactions energy: -367.964
where: short stacking energy: -149.675
Base-Backbone interact. energy: 0.447
local terms energy: -158.837908
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -42.114
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -533.242187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.242187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.288337 (E_RNA)
where:
Base-Base interactions energy: -376.630
where: short stacking energy: -153.126
Base-Backbone interact. energy: 0.223
local terms energy: -156.881299
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -39.781
Dist. restrs. and SS energy: 0.046 (S_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: 446
Temperature: 1.000000
Total energy: -508.492980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.492980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.552358 (E_RNA)
where:
Base-Base interactions energy: -355.679
where: short stacking energy: -152.786
Base-Backbone interact. energy: -0.968
local terms energy: -151.904923
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -41.486
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -511.149983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.149983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.240948 (E_RNA)
where:
Base-Base interactions energy: -370.008
where: short stacking energy: -150.060
Base-Backbone interact. energy: -1.110
local terms energy: -140.122456
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -38.201
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -507.237121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.237121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.806986 (E_RNA)
where:
Base-Base interactions energy: -356.729
where: short stacking energy: -149.928
Base-Backbone interact. energy: 1.224
local terms energy: -152.301909
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -23.245
tors. eta vs tors. theta energy: -38.192
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: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -485.176083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.176083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.661879 (E_RNA)
where:
Base-Base interactions energy: -345.120
where: short stacking energy: -135.043
Base-Backbone interact. energy: -0.783
local terms energy: -139.758378
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -37.336
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -433.489013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.489013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.353915 (E_RNA)
where:
Base-Base interactions energy: -313.144
where: short stacking energy: -124.085
Base-Backbone interact. energy: -0.784
local terms energy: -124.425582
where:
bonds (distance) C4'-P energy: -22.639
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -31.018
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -30.223
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: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -471.759136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.759136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.057733 (E_RNA)
where:
Base-Base interactions energy: -333.643
where: short stacking energy: -127.438
Base-Backbone interact. energy: -0.415
local terms energy: -138.000299
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -18.869
tors. eta vs tors. theta energy: -31.672
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: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -456.862191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.862191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.964149 (E_RNA)
where:
Base-Base interactions energy: -316.778
where: short stacking energy: -121.838
Base-Backbone interact. energy: -1.219
local terms energy: -139.966741
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -27.117
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -29.901
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -422.964535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.964535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.207873 (E_RNA)
where:
Base-Base interactions energy: -303.368
where: short stacking energy: -120.135
Base-Backbone interact. energy: 1.845
local terms energy: -121.685170
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.243 (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: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -535.609483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.609483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.686666 (E_RNA)
where:
Base-Base interactions energy: -373.627
where: short stacking energy: -148.979
Base-Backbone interact. energy: 0.522
local terms energy: -162.581495
where:
bonds (distance) C4'-P energy: -29.015
bonds (distance) P-C4' energy: -32.061
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -39.505
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -525.244361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.244361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.893684 (E_RNA)
where:
Base-Base interactions energy: -365.347
where: short stacking energy: -156.586
Base-Backbone interact. energy: -0.146
local terms energy: -160.401210
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -38.104
Dist. restrs. and SS energy: 0.649 (S_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: 447
Temperature: 1.000000
Total energy: -505.868143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.868143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.001230 (E_RNA)
where:
Base-Base interactions energy: -362.742
where: short stacking energy: -155.855
Base-Backbone interact. energy: -0.792
local terms energy: -142.467833
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -43.144
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -510.529327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.529327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.880772 (E_RNA)
where:
Base-Base interactions energy: -356.624
where: short stacking energy: -148.599
Base-Backbone interact. energy: -0.458
local terms energy: -153.798934
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -28.485
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -40.984
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -475.967928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.967928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.066059 (E_RNA)
where:
Base-Base interactions energy: -332.896
where: short stacking energy: -129.508
Base-Backbone interact. energy: -0.060
local terms energy: -143.110027
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -35.067
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -477.450150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.450150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.600375 (E_RNA)
where:
Base-Base interactions energy: -332.973
where: short stacking energy: -125.306
Base-Backbone interact. energy: -0.312
local terms energy: -144.315239
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -475.596904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.596904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.705869 (E_RNA)
where:
Base-Base interactions energy: -336.866
where: short stacking energy: -134.776
Base-Backbone interact. energy: -0.333
local terms energy: -138.507312
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -26.913
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -35.831
Dist. restrs. and SS energy: 0.109 (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: 447
Temperature: 1.250000
Total energy: -456.603134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.603134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.211065 (E_RNA)
where:
Base-Base interactions energy: -317.928
where: short stacking energy: -129.009
Base-Backbone interact. energy: -0.765
local terms energy: -138.517858
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -32.087
Dist. restrs. and SS energy: 0.608 (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: 447
Temperature: 1.300000
Total energy: -416.880441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.880441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.216217 (E_RNA)
where:
Base-Base interactions energy: -301.248
where: short stacking energy: -111.489
Base-Backbone interact. energy: 0.550
local terms energy: -116.518175
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -29.605
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -27.602
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -429.739117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.739117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.191189 (E_RNA)
where:
Base-Base interactions energy: -309.123
where: short stacking energy: -125.781
Base-Backbone interact. energy: 0.557
local terms energy: -121.625321
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -29.878
Dist. restrs. and SS energy: 0.452 (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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -522.028909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.028909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.103698 (E_RNA)
where:
Base-Base interactions energy: -371.597
where: short stacking energy: -147.447
Base-Backbone interact. energy: -0.225
local terms energy: -150.281398
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -29.940
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: -37.300
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -525.370847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.370847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.451489 (E_RNA)
where:
Base-Base interactions energy: -367.269
where: short stacking energy: -151.534
Base-Backbone interact. energy: 0.314
local terms energy: -158.496540
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -513.126000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.126000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.709080 (E_RNA)
where:
Base-Base interactions energy: -363.103
where: short stacking energy: -151.521
Base-Backbone interact. energy: -1.140
local terms energy: -149.466016
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -41.694
Dist. restrs. and SS energy: 0.583 (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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -501.161256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.161256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.667112 (E_RNA)
where:
Base-Base interactions energy: -356.475
where: short stacking energy: -139.274
Base-Backbone interact. energy: -0.446
local terms energy: -144.746135
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.506 (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: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -490.226548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.226548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.264307 (E_RNA)
where:
Base-Base interactions energy: -345.230
where: short stacking energy: -146.534
Base-Backbone interact. energy: -0.589
local terms energy: -144.445214
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -37.358
Dist. restrs. and SS energy: 0.038 (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: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -468.076617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.076617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.661372 (E_RNA)
where:
Base-Base interactions energy: -322.726
where: short stacking energy: -133.686
Base-Backbone interact. energy: -0.045
local terms energy: -145.890451
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -36.712
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -454.235622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.235622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.319609 (E_RNA)
where:
Base-Base interactions energy: -324.142
where: short stacking energy: -128.983
Base-Backbone interact. energy: 0.416
local terms energy: -130.593342
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -33.946
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -426.848986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.848986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.245299 (E_RNA)
where:
Base-Base interactions energy: -305.937
where: short stacking energy: -109.898
Base-Backbone interact. energy: -0.419
local terms energy: -120.888835
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -423.323831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.323831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.286156 (E_RNA)
where:
Base-Base interactions energy: -303.753
where: short stacking energy: -121.245
Base-Backbone interact. energy: 0.610
local terms energy: -121.143342
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: 0.962 (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: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -420.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.717845 (E_RNA)
where:
Base-Base interactions energy: -306.159
where: short stacking energy: -116.690
Base-Backbone interact. energy: -1.052
local terms energy: -113.507176
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -31.569
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -538.553791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.553791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.711313 (E_RNA)
where:
Base-Base interactions energy: -375.252
where: short stacking energy: -157.069
Base-Backbone interact. energy: -0.948
local terms energy: -162.511691
where:
bonds (distance) C4'-P energy: -27.437
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -33.843
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -41.414
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -522.655979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.655979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.221529 (E_RNA)
where:
Base-Base interactions energy: -365.118
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.474
local terms energy: -157.629439
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -41.880
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -527.194192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.194192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.228652 (E_RNA)
where:
Base-Base interactions energy: -370.801
where: short stacking energy: -146.542
Base-Backbone interact. energy: -0.354
local terms energy: -156.074175
where:
bonds (distance) C4'-P energy: -27.718
bonds (distance) P-C4' energy: -29.696
flat angles C4'-P-C4' energy: -33.632
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.034 (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: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -513.141205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.141205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.331075 (E_RNA)
where:
Base-Base interactions energy: -365.364
where: short stacking energy: -157.176
Base-Backbone interact. energy: -0.358
local terms energy: -147.609394
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -27.411
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -43.750
Dist. restrs. and SS energy: 0.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -492.711791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.711791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.753010 (E_RNA)
where:
Base-Base interactions energy: -351.966
where: short stacking energy: -137.350
Base-Backbone interact. energy: -0.485
local terms energy: -140.301558
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -33.542
Dist. restrs. and SS energy: 0.041 (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: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -449.708914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.708914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.227395 (E_RNA)
where:
Base-Base interactions energy: -320.768
where: short stacking energy: -128.086
Base-Backbone interact. energy: -0.649
local terms energy: -132.811184
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -32.703
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: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -449.543589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.543589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.887942 (E_RNA)
where:
Base-Base interactions energy: -316.744
where: short stacking energy: -124.266
Base-Backbone interact. energy: 1.525
local terms energy: -134.669142
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -30.167
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -424.856922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.856922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.032719 (E_RNA)
where:
Base-Base interactions energy: -308.974
where: short stacking energy: -121.721
Base-Backbone interact. energy: 2.855
local terms energy: -118.914026
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -33.858
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -30.453
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -434.165332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.165332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.227917 (E_RNA)
where:
Base-Base interactions energy: -312.443
where: short stacking energy: -119.696
Base-Backbone interact. energy: -1.429
local terms energy: -120.355526
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -441.512326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.512326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.898880 (E_RNA)
where:
Base-Base interactions energy: -316.484
where: short stacking energy: -124.121
Base-Backbone interact. energy: -0.601
local terms energy: -124.813650
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -542.110280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.110280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.266048 (E_RNA)
where:
Base-Base interactions energy: -389.854
where: short stacking energy: -156.147
Base-Backbone interact. energy: -0.565
local terms energy: -151.847125
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -25.896
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -42.204
Dist. restrs. and SS energy: 0.156 (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: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -519.520564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.520564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.765159 (E_RNA)
where:
Base-Base interactions energy: -363.979
where: short stacking energy: -142.475
Base-Backbone interact. energy: 0.788
local terms energy: -156.574585
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -41.019
Dist. restrs. and SS energy: 0.245 (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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -535.253977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.253977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.438294 (E_RNA)
where:
Base-Base interactions energy: -375.062
where: short stacking energy: -152.474
Base-Backbone interact. energy: 0.218
local terms energy: -160.594781
where:
bonds (distance) C4'-P energy: -30.577
bonds (distance) P-C4' energy: -34.567
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -42.049
Dist. restrs. and SS energy: 0.184 (S_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: 450
Temperature: 1.050000
Total energy: -498.839445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.839445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.174026 (E_RNA)
where:
Base-Base interactions energy: -357.981
where: short stacking energy: -141.842
Base-Backbone interact. energy: -0.633
local terms energy: -140.559665
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -35.340
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -454.242539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.242539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.159791 (E_RNA)
where:
Base-Base interactions energy: -331.832
where: short stacking energy: -140.246
Base-Backbone interact. energy: -0.922
local terms energy: -125.405564
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -28.682
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -36.048
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -477.288784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.665575 (E_RNA)
where:
Base-Base interactions energy: -330.092
where: short stacking energy: -123.712
Base-Backbone interact. energy: -0.670
local terms energy: -146.904179
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -29.632
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -481.497044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.497044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.732215 (E_RNA)
where:
Base-Base interactions energy: -346.484
where: short stacking energy: -147.249
Base-Backbone interact. energy: -0.279
local terms energy: -134.969294
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -440.024557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.024557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.149209 (E_RNA)
where:
Base-Base interactions energy: -304.740
where: short stacking energy: -126.146
Base-Backbone interact. energy: 1.697
local terms energy: -137.106781
where:
bonds (distance) C4'-P energy: -27.764
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -33.980
Dist. restrs. and SS energy: 0.125 (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: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -435.242543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.242543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.523984 (E_RNA)
where:
Base-Base interactions energy: -324.492
where: short stacking energy: -116.984
Base-Backbone interact. energy: -0.258
local terms energy: -110.774904
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -26.214
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -442.069890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.069890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.498594 (E_RNA)
where:
Base-Base interactions energy: -320.454
where: short stacking energy: -122.479
Base-Backbone interact. energy: 0.023
local terms energy: -122.067995
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -36.029
Dist. restrs. and SS energy: 0.429 (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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -545.755744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.755744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.976108 (E_RNA)
where:
Base-Base interactions energy: -380.809
where: short stacking energy: -153.014
Base-Backbone interact. energy: -0.572
local terms energy: -164.594869
where:
bonds (distance) C4'-P energy: -30.207
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -21.460
tors. eta vs tors. theta energy: -42.852
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -532.228981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.228981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.302011 (E_RNA)
where:
Base-Base interactions energy: -374.415
where: short stacking energy: -158.865
Base-Backbone interact. energy: 0.464
local terms energy: -158.350934
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -44.884
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -505.070889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.070889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.368051 (E_RNA)
where:
Base-Base interactions energy: -357.431
where: short stacking energy: -144.487
Base-Backbone interact. energy: -0.354
local terms energy: -147.583558
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -31.610
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.297 (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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -484.458005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.458005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.582214 (E_RNA)
where:
Base-Base interactions energy: -333.511
where: short stacking energy: -141.829
Base-Backbone interact. energy: 0.500
local terms energy: -151.571139
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -34.917
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -506.256574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.256574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.437229 (E_RNA)
where:
Base-Base interactions energy: -358.009
where: short stacking energy: -145.363
Base-Backbone interact. energy: -1.001
local terms energy: -147.427157
where:
bonds (distance) C4'-P energy: -31.898
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -17.711
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.181 (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: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -483.163297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.663198 (E_RNA)
where:
Base-Base interactions energy: -339.749
where: short stacking energy: -129.747
Base-Backbone interact. energy: -0.241
local terms energy: -143.673385
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -26.229
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -24.098
tors. eta vs tors. theta energy: -35.242
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -479.801678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.801678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.470088 (E_RNA)
where:
Base-Base interactions energy: -335.788
where: short stacking energy: -141.311
Base-Backbone interact. energy: -0.477
local terms energy: -144.205378
where:
bonds (distance) C4'-P energy: -27.069
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -36.217
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -451.597066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.597066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.277666 (E_RNA)
where:
Base-Base interactions energy: -315.187
where: short stacking energy: -123.479
Base-Backbone interact. energy: 0.747
local terms energy: -137.837693
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -34.456
Dist. restrs. and SS energy: 0.681 (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: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -453.462227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.462227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.580251 (E_RNA)
where:
Base-Base interactions energy: -337.931
where: short stacking energy: -124.845
Base-Backbone interact. energy: 0.147
local terms energy: -115.796317
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.118 (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: 451
Temperature: 1.350000
Total energy: -438.035446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.035446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.188218 (E_RNA)
where:
Base-Base interactions energy: -311.762
where: short stacking energy: -117.900
Base-Backbone interact. energy: -0.594
local terms energy: -125.832725
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -32.847
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -534.586721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.586721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.644860 (E_RNA)
where:
Base-Base interactions energy: -375.588
where: short stacking energy: -152.561
Base-Backbone interact. energy: 0.057
local terms energy: -159.114319
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -44.290
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -534.376472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.376472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.576690 (E_RNA)
where:
Base-Base interactions energy: -375.043
where: short stacking energy: -157.075
Base-Backbone interact. energy: -1.262
local terms energy: -158.271294
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -31.304
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.200 (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: 452
Temperature: 1.000000
Total energy: -509.641272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.641272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.090579 (E_RNA)
where:
Base-Base interactions energy: -350.259
where: short stacking energy: -144.810
Base-Backbone interact. energy: -1.179
local terms energy: -158.652406
where:
bonds (distance) C4'-P energy: -26.014
bonds (distance) P-C4' energy: -34.257
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -41.681
Dist. restrs. and SS energy: 0.449 (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: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -469.609289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.609289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.741689 (E_RNA)
where:
Base-Base interactions energy: -326.144
where: short stacking energy: -129.488
Base-Backbone interact. energy: -0.273
local terms energy: -143.324750
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.132 (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: 452
Temperature: 1.100000
Total energy: -486.831109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.831109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.122513 (E_RNA)
where:
Base-Base interactions energy: -350.072
where: short stacking energy: -144.787
Base-Backbone interact. energy: -0.900
local terms energy: -136.150169
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -481.843593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.843593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.958743 (E_RNA)
where:
Base-Base interactions energy: -344.415
where: short stacking energy: -146.640
Base-Backbone interact. energy: -2.073
local terms energy: -135.471327
where:
bonds (distance) C4'-P energy: -28.111
bonds (distance) P-C4' energy: -25.755
flat angles C4'-P-C4' energy: -30.986
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -40.606
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -466.828749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.828749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.143071 (E_RNA)
where:
Base-Base interactions energy: -327.020
where: short stacking energy: -124.491
Base-Backbone interact. energy: 0.667
local terms energy: -140.789572
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -453.841786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.841786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.087573 (E_RNA)
where:
Base-Base interactions energy: -337.844
where: short stacking energy: -127.078
Base-Backbone interact. energy: 0.897
local terms energy: -117.140275
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -25.774
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.246 (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: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -453.102164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.102164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.527060 (E_RNA)
where:
Base-Base interactions energy: -328.834
where: short stacking energy: -123.563
Base-Backbone interact. energy: -0.784
local terms energy: -123.908978
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -33.061
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.425 (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: 452
Temperature: 1.350000
Total energy: -446.016188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.016188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.281138 (E_RNA)
where:
Base-Base interactions energy: -315.263
where: short stacking energy: -122.588
Base-Backbone interact. energy: 0.064
local terms energy: -136.082815
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -30.980
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -35.251
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: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -541.066087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.066087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.388261 (E_RNA)
where:
Base-Base interactions energy: -373.186
where: short stacking energy: -157.173
Base-Backbone interact. energy: 0.311
local terms energy: -168.512633
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -36.165
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -43.456
Dist. restrs. and SS energy: 0.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -518.724604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.724604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.936922 (E_RNA)
where:
Base-Base interactions energy: -367.152
where: short stacking energy: -138.135
Base-Backbone interact. energy: -0.762
local terms energy: -151.022515
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -40.731
Dist. restrs. and SS energy: 0.212 (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: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -506.671953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.671953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.943747 (E_RNA)
where:
Base-Base interactions energy: -355.453
where: short stacking energy: -147.182
Base-Backbone interact. energy: -1.258
local terms energy: -150.232999
where:
bonds (distance) C4'-P energy: -26.525
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -38.528
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -513.352091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.352091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.580788 (E_RNA)
where:
Base-Base interactions energy: -361.228
where: short stacking energy: -150.978
Base-Backbone interact. energy: -2.878
local terms energy: -149.474529
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -42.824
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -453.646807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.646807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.031546 (E_RNA)
where:
Base-Base interactions energy: -317.113
where: short stacking energy: -125.489
Base-Backbone interact. energy: 0.674
local terms energy: -137.593051
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -21.669
tors. eta vs tors. theta energy: -31.831
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: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -464.127485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.127485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.151377 (E_RNA)
where:
Base-Base interactions energy: -332.953
where: short stacking energy: -117.067
Base-Backbone interact. energy: -0.681
local terms energy: -130.517284
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -28.545
flat angles P-C4'-P energy: -24.087
tors. eta vs tors. theta energy: -29.057
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -467.966445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.966445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.341273 (E_RNA)
where:
Base-Base interactions energy: -328.547
where: short stacking energy: -133.728
Base-Backbone interact. energy: -1.323
local terms energy: -138.470850
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -34.404
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.375 (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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -458.651657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.651657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.899936 (E_RNA)
where:
Base-Base interactions energy: -325.114
where: short stacking energy: -127.057
Base-Backbone interact. energy: -2.369
local terms energy: -131.416612
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -29.717
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: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -441.883528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.883528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.271208 (E_RNA)
where:
Base-Base interactions energy: -324.455
where: short stacking energy: -131.008
Base-Backbone interact. energy: 1.367
local terms energy: -119.183665
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -33.207
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -438.846215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.846215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.975009 (E_RNA)
where:
Base-Base interactions energy: -319.142
where: short stacking energy: -124.426
Base-Backbone interact. energy: -0.745
local terms energy: -119.087090
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -26.422
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -33.200
Dist. restrs. and SS energy: 0.129 (S_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: 454
Temperature: 0.900000
Total energy: -536.724316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.724316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.978573 (E_RNA)
where:
Base-Base interactions energy: -382.716
where: short stacking energy: -153.755
Base-Backbone interact. energy: -0.442
local terms energy: -153.820681
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -29.079
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -40.421
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -526.548560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.548560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.596789 (E_RNA)
where:
Base-Base interactions energy: -368.467
where: short stacking energy: -156.323
Base-Backbone interact. energy: 0.565
local terms energy: -158.694453
where:
bonds (distance) C4'-P energy: -31.157
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.048 (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: 454
Temperature: 1.000000
Total energy: -513.846616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.846616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.127387 (E_RNA)
where:
Base-Base interactions energy: -357.588
where: short stacking energy: -151.245
Base-Backbone interact. energy: -1.020
local terms energy: -155.519361
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -513.620475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.620475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.826619 (E_RNA)
where:
Base-Base interactions energy: -375.737
where: short stacking energy: -145.782
Base-Backbone interact. energy: -0.423
local terms energy: -137.666884
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -36.780
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -482.347702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.347702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.444143 (E_RNA)
where:
Base-Base interactions energy: -348.041
where: short stacking energy: -134.142
Base-Backbone interact. energy: -0.513
local terms energy: -133.890107
where:
bonds (distance) C4'-P energy: -28.750
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -20.903
tors. eta vs tors. theta energy: -31.240
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -452.087803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.087803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.285413 (E_RNA)
where:
Base-Base interactions energy: -310.383
where: short stacking energy: -128.101
Base-Backbone interact. energy: -0.559
local terms energy: -141.343542
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -27.767
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -470.871626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.871626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.152115 (E_RNA)
where:
Base-Base interactions energy: -332.031
where: short stacking energy: -129.042
Base-Backbone interact. energy: -0.502
local terms energy: -139.619687
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -36.706
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: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -448.989844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.989844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.706247 (E_RNA)
where:
Base-Base interactions energy: -327.261
where: short stacking energy: -127.733
Base-Backbone interact. energy: -0.722
local terms energy: -121.723600
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -32.668
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -459.401847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.401847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.808266 (E_RNA)
where:
Base-Base interactions energy: -330.203
where: short stacking energy: -131.272
Base-Backbone interact. energy: -0.225
local terms energy: -129.380976
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -24.990
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -36.078
Dist. restrs. and SS energy: 0.406 (S_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: -424.369762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.369762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.555997 (E_RNA)
where:
Base-Base interactions energy: -315.286
where: short stacking energy: -122.551
Base-Backbone interact. energy: -0.988
local terms energy: -108.282209
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -29.075
Dist. restrs. and SS energy: 0.186 (S_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: 455
Temperature: 0.900000
Total energy: -535.571614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.571614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.588668 (E_RNA)
where:
Base-Base interactions energy: -378.113
where: short stacking energy: -147.642
Base-Backbone interact. energy: -0.172
local terms energy: -157.303656
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -523.007948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.007948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.042560 (E_RNA)
where:
Base-Base interactions energy: -369.663
where: short stacking energy: -155.919
Base-Backbone interact. energy: 0.557
local terms energy: -153.936772
where:
bonds (distance) C4'-P energy: -28.657
bonds (distance) P-C4' energy: -26.617
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -520.432129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.432129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.621798 (E_RNA)
where:
Base-Base interactions energy: -364.492
where: short stacking energy: -154.222
Base-Backbone interact. energy: -0.530
local terms energy: -155.600041
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -25.202
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -44.431
Dist. restrs. and SS energy: 0.190 (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: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -500.549550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.549550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.014216 (E_RNA)
where:
Base-Base interactions energy: -357.232
where: short stacking energy: -136.699
Base-Backbone interact. energy: -1.249
local terms energy: -142.533472
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -32.245
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -33.723
Dist. restrs. and SS energy: 0.465 (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: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -473.064190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.064190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.207113 (E_RNA)
where:
Base-Base interactions energy: -334.630
where: short stacking energy: -133.485
Base-Backbone interact. energy: -0.035
local terms energy: -138.541709
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -34.499
Dist. restrs. and SS energy: 0.143 (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: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -476.802432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.802432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.136702 (E_RNA)
where:
Base-Base interactions energy: -334.174
where: short stacking energy: -133.877
Base-Backbone interact. energy: 1.482
local terms energy: -144.444383
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -33.682
Dist. restrs. and SS energy: 0.334 (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: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -450.997666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.997666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.447583 (E_RNA)
where:
Base-Base interactions energy: -326.473
where: short stacking energy: -130.906
Base-Backbone interact. energy: -0.444
local terms energy: -124.530561
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -31.067
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -463.317329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.317329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.547776 (E_RNA)
where:
Base-Base interactions energy: -328.964
where: short stacking energy: -133.874
Base-Backbone interact. energy: 0.062
local terms energy: -134.646495
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -26.017
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -38.492
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -443.371175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.371175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.544804 (E_RNA)
where:
Base-Base interactions energy: -313.931
where: short stacking energy: -125.557
Base-Backbone interact. energy: -0.742
local terms energy: -128.872001
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -452.954072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.954072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.531885 (E_RNA)
where:
Base-Base interactions energy: -330.480
where: short stacking energy: -128.371
Base-Backbone interact. energy: -0.079
local terms energy: -122.972403
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -24.229
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -506.274195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.274195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.495910 (E_RNA)
where:
Base-Base interactions energy: -358.475
where: short stacking energy: -128.618
Base-Backbone interact. energy: 1.616
local terms energy: -149.636981
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -30.923
Dist. restrs. and SS energy: 0.222 (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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -527.316291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.316291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.762899 (E_RNA)
where:
Base-Base interactions energy: -378.484
where: short stacking energy: -154.298
Base-Backbone interact. energy: -0.380
local terms energy: -148.899546
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -42.672
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -507.482002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.482002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.769090 (E_RNA)
where:
Base-Base interactions energy: -357.899
where: short stacking energy: -147.423
Base-Backbone interact. energy: -0.284
local terms energy: -149.586768
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -35.878
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -505.288317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.288317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.350680 (E_RNA)
where:
Base-Base interactions energy: -361.669
where: short stacking energy: -149.822
Base-Backbone interact. energy: -0.919
local terms energy: -142.763057
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -38.322
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -479.189900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.189900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.344759 (E_RNA)
where:
Base-Base interactions energy: -338.334
where: short stacking energy: -147.572
Base-Backbone interact. energy: -0.621
local terms energy: -140.389669
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -29.830
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -37.036
Dist. restrs. and SS energy: 0.155 (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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -476.624571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.624571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.795021 (E_RNA)
where:
Base-Base interactions energy: -343.819
where: short stacking energy: -137.907
Base-Backbone interact. energy: -0.722
local terms energy: -133.254382
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -26.109
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -468.818940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.818940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.007416 (E_RNA)
where:
Base-Base interactions energy: -332.432
where: short stacking energy: -132.817
Base-Backbone interact. energy: 0.217
local terms energy: -136.792032
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -433.851485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.851485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.122034 (E_RNA)
where:
Base-Base interactions energy: -292.233
where: short stacking energy: -111.219
Base-Backbone interact. energy: -0.803
local terms energy: -141.086314
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -35.459
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -442.566617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.566617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.791776 (E_RNA)
where:
Base-Base interactions energy: -322.707
where: short stacking energy: -132.059
Base-Backbone interact. energy: -0.623
local terms energy: -119.461384
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -30.188
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -27.419
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -438.931358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.931358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.456061 (E_RNA)
where:
Base-Base interactions energy: -319.884
where: short stacking energy: -126.981
Base-Backbone interact. energy: 0.721
local terms energy: -120.293467
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -32.329
Dist. restrs. and SS energy: 0.525 (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: 457
Temperature: 0.900000
Total energy: -537.041078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.041078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.341277 (E_RNA)
where:
Base-Base interactions energy: -375.499
where: short stacking energy: -158.849
Base-Backbone interact. energy: -0.742
local terms energy: -161.099890
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -31.351
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -519.071536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.071536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.121861 (E_RNA)
where:
Base-Base interactions energy: -368.751
where: short stacking energy: -148.020
Base-Backbone interact. energy: -1.301
local terms energy: -149.069730
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -38.724
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -525.572333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.572333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.844307 (E_RNA)
where:
Base-Base interactions energy: -378.717
where: short stacking energy: -151.938
Base-Backbone interact. energy: -0.145
local terms energy: -146.981735
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -22.203
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -38.577
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -498.717833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.717833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.876991 (E_RNA)
where:
Base-Base interactions energy: -352.391
where: short stacking energy: -145.390
Base-Backbone interact. energy: -0.782
local terms energy: -145.703886
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -37.204
Dist. restrs. and SS energy: 0.159 (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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -493.685486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.685486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.995857 (E_RNA)
where:
Base-Base interactions energy: -347.638
where: short stacking energy: -143.528
Base-Backbone interact. energy: -1.995
local terms energy: -144.363566
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -32.789
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -35.921
Dist. restrs. and SS energy: 0.310 (S_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: 457
Temperature: 1.150000
Total energy: -470.123551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.123551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.260670 (E_RNA)
where:
Base-Base interactions energy: -339.156
where: short stacking energy: -136.721
Base-Backbone interact. energy: 0.291
local terms energy: -131.395960
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -31.054
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -34.104
Dist. restrs. and SS energy: 0.137 (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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -455.693878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.693878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.938000 (E_RNA)
where:
Base-Base interactions energy: -332.249
where: short stacking energy: -133.550
Base-Backbone interact. energy: -0.279
local terms energy: -123.410385
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -25.096
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -35.224
Dist. restrs. and SS energy: 0.244 (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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -453.359538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.359538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.827759 (E_RNA)
where:
Base-Base interactions energy: -322.014
where: short stacking energy: -125.616
Base-Backbone interact. energy: -0.023
local terms energy: -131.789805
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -23.313
tors. eta vs tors. theta energy: -33.281
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -438.936076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.936076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.216820 (E_RNA)
where:
Base-Base interactions energy: -319.669
where: short stacking energy: -136.009
Base-Backbone interact. energy: -0.450
local terms energy: -119.097726
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -29.231
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -31.852
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -443.778744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.778744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.485003 (E_RNA)
where:
Base-Base interactions energy: -329.767
where: short stacking energy: -121.310
Base-Backbone interact. energy: -0.663
local terms energy: -114.054883
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -30.157
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: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -523.812754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.812754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.091554 (E_RNA)
where:
Base-Base interactions energy: -360.688
where: short stacking energy: -153.850
Base-Backbone interact. energy: -0.498
local terms energy: -162.906394
where:
bonds (distance) C4'-P energy: -34.621
bonds (distance) P-C4' energy: -31.133
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -38.712
Dist. restrs. and SS energy: 0.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -521.780575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.780575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.369092 (E_RNA)
where:
Base-Base interactions energy: -371.820
where: short stacking energy: -158.789
Base-Backbone interact. energy: -0.166
local terms energy: -150.383721
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -40.661
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: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -528.736556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.736556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.941803 (E_RNA)
where:
Base-Base interactions energy: -372.489
where: short stacking energy: -151.411
Base-Backbone interact. energy: -0.508
local terms energy: -155.945583
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -42.555
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -502.076392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.076392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.145547 (E_RNA)
where:
Base-Base interactions energy: -350.832
where: short stacking energy: -142.436
Base-Backbone interact. energy: -0.623
local terms energy: -150.690364
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -37.371
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -485.224403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.224403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.671656 (E_RNA)
where:
Base-Base interactions energy: -344.607
where: short stacking energy: -129.803
Base-Backbone interact. energy: -0.539
local terms energy: -140.525199
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -31.049
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -487.336614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.336614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.536292 (E_RNA)
where:
Base-Base interactions energy: -344.721
where: short stacking energy: -140.254
Base-Backbone interact. energy: -0.068
local terms energy: -142.747011
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -27.005
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -34.536
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -461.358862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.358862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.582018 (E_RNA)
where:
Base-Base interactions energy: -324.414
where: short stacking energy: -127.889
Base-Backbone interact. energy: -0.442
local terms energy: -136.725790
where:
bonds (distance) C4'-P energy: -30.678
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -30.690
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -460.960206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.960206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.221797 (E_RNA)
where:
Base-Base interactions energy: -320.121
where: short stacking energy: -133.003
Base-Backbone interact. energy: 1.341
local terms energy: -142.441076
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -26.009
tors. eta vs tors. theta energy: -37.917
Dist. restrs. and SS energy: 0.262 (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: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -435.247045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.247045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.057561 (E_RNA)
where:
Base-Base interactions energy: -308.040
where: short stacking energy: -116.915
Base-Backbone interact. energy: 0.768
local terms energy: -128.785556
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -421.986251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.986251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.574352 (E_RNA)
where:
Base-Base interactions energy: -298.856
where: short stacking energy: -116.319
Base-Backbone interact. energy: -1.036
local terms energy: -122.681501
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -534.041541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.041541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.120406 (E_RNA)
where:
Base-Base interactions energy: -380.384
where: short stacking energy: -151.225
Base-Backbone interact. energy: -0.705
local terms energy: -153.031117
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -530.634703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.634703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.682084 (E_RNA)
where:
Base-Base interactions energy: -387.273
where: short stacking energy: -156.231
Base-Backbone interact. energy: -0.225
local terms energy: -143.183796
where:
bonds (distance) C4'-P energy: -30.733
bonds (distance) P-C4' energy: -33.045
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -32.721
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -527.554890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.554890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.728790 (E_RNA)
where:
Base-Base interactions energy: -379.767
where: short stacking energy: -150.239
Base-Backbone interact. energy: 1.261
local terms energy: -149.223168
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -35.377
Dist. restrs. and SS energy: 0.174 (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: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -504.468455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.468455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.711124 (E_RNA)
where:
Base-Base interactions energy: -358.811
where: short stacking energy: -159.900
Base-Backbone interact. energy: -0.401
local terms energy: -145.498508
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -40.256
Dist. restrs. and SS energy: 0.243 (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: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -487.479825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.479825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.857121 (E_RNA)
where:
Base-Base interactions energy: -351.187
where: short stacking energy: -143.222
Base-Backbone interact. energy: 0.092
local terms energy: -136.762275
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -27.657
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -32.947
Dist. restrs. and SS energy: 0.377 (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: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -483.665605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.665605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.256957 (E_RNA)
where:
Base-Base interactions energy: -351.863
where: short stacking energy: -142.870
Base-Backbone interact. energy: -0.415
local terms energy: -131.979271
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: -38.138
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -463.624977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.624977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.771758 (E_RNA)
where:
Base-Base interactions energy: -333.095
where: short stacking energy: -126.700
Base-Backbone interact. energy: -0.558
local terms energy: -130.118749
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -19.291
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.147 (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: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -444.227183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.227183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.903225 (E_RNA)
where:
Base-Base interactions energy: -314.155
where: short stacking energy: -118.195
Base-Backbone interact. energy: -1.270
local terms energy: -129.478097
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -451.096580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.096580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.887831 (E_RNA)
where:
Base-Base interactions energy: -335.956
where: short stacking energy: -123.887
Base-Backbone interact. energy: 1.262
local terms energy: -117.194003
where:
bonds (distance) C4'-P energy: -25.102
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -438.555656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.555656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.412109 (E_RNA)
where:
Base-Base interactions energy: -321.864
where: short stacking energy: -114.878
Base-Backbone interact. energy: 2.075
local terms energy: -119.622415
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -34.227
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -536.867341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.867341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.111959 (E_RNA)
where:
Base-Base interactions energy: -374.941
where: short stacking energy: -153.589
Base-Backbone interact. energy: -0.511
local terms energy: -161.660142
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -32.755
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -41.227
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -523.079685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.079685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.139317 (E_RNA)
where:
Base-Base interactions energy: -370.930
where: short stacking energy: -150.557
Base-Backbone interact. energy: -0.944
local terms energy: -151.265393
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -39.508
Dist. restrs. and SS energy: 0.060 (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: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -509.843586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.843586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.104781 (E_RNA)
where:
Base-Base interactions energy: -358.527
where: short stacking energy: -150.787
Base-Backbone interact. energy: -0.330
local terms energy: -151.247620
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -513.151110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.151110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.414869 (E_RNA)
where:
Base-Base interactions energy: -358.915
where: short stacking energy: -150.484
Base-Backbone interact. energy: 1.400
local terms energy: -155.900195
where:
bonds (distance) C4'-P energy: -33.038
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -37.814
Dist. restrs. and SS energy: 0.264 (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: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -497.226107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.226107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.535656 (E_RNA)
where:
Base-Base interactions energy: -358.489
where: short stacking energy: -147.311
Base-Backbone interact. energy: 0.033
local terms energy: -139.079660
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -34.576
Dist. restrs. and SS energy: 0.310 (S_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: -462.881036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.881036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.032379 (E_RNA)
where:
Base-Base interactions energy: -329.228
where: short stacking energy: -135.801
Base-Backbone interact. energy: -0.459
local terms energy: -133.345936
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -29.327
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -32.913
Dist. restrs. and SS energy: 0.151 (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: 460
Temperature: 1.200000
Total energy: -474.844498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.844498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.903947 (E_RNA)
where:
Base-Base interactions energy: -327.395
where: short stacking energy: -134.379
Base-Backbone interact. energy: -0.431
local terms energy: -147.078215
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -29.850
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -37.173
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -440.833878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.833878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.400952 (E_RNA)
where:
Base-Base interactions energy: -319.637
where: short stacking energy: -125.994
Base-Backbone interact. energy: 4.233
local terms energy: -125.997771
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -450.702413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.702413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.370802 (E_RNA)
where:
Base-Base interactions energy: -318.414
where: short stacking energy: -126.078
Base-Backbone interact. energy: -0.334
local terms energy: -132.622447
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -30.677
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -429.045187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.045187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.120974 (E_RNA)
where:
Base-Base interactions energy: -309.993
where: short stacking energy: -126.195
Base-Backbone interact. energy: 1.128
local terms energy: -120.256486
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -31.462
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -536.377954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.377954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.409027 (E_RNA)
where:
Base-Base interactions energy: -385.240
where: short stacking energy: -140.861
Base-Backbone interact. energy: -0.707
local terms energy: -150.461646
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -517.913383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.913383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.029936 (E_RNA)
where:
Base-Base interactions energy: -366.354
where: short stacking energy: -146.095
Base-Backbone interact. energy: -0.660
local terms energy: -151.016026
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -38.195
Dist. restrs. and SS energy: 0.117 (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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -513.483577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.483577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.490403 (E_RNA)
where:
Base-Base interactions energy: -364.484
where: short stacking energy: -151.229
Base-Backbone interact. energy: -0.445
local terms energy: -148.561920
where:
bonds (distance) C4'-P energy: -24.858
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -28.352
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -500.937127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.937127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.966672 (E_RNA)
where:
Base-Base interactions energy: -345.333
where: short stacking energy: -143.885
Base-Backbone interact. energy: 1.741
local terms energy: -157.374801
where:
bonds (distance) C4'-P energy: -27.188
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -22.789
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.030 (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: 461
Temperature: 1.100000
Total energy: -493.641322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.641322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.737016 (E_RNA)
where:
Base-Base interactions energy: -346.852
where: short stacking energy: -142.356
Base-Backbone interact. energy: -0.552
local terms energy: -147.332774
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -37.003
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -464.807190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.807190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.912062 (E_RNA)
where:
Base-Base interactions energy: -335.038
where: short stacking energy: -124.784
Base-Backbone interact. energy: -0.174
local terms energy: -129.700298
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -482.112829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.112829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.359702 (E_RNA)
where:
Base-Base interactions energy: -342.953
where: short stacking energy: -141.843
Base-Backbone interact. energy: -0.651
local terms energy: -138.756016
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -40.009
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -444.633844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.633844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.961702 (E_RNA)
where:
Base-Base interactions energy: -327.580
where: short stacking energy: -127.417
Base-Backbone interact. energy: -1.185
local terms energy: -116.196666
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -33.392
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -442.439139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.439139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.987315 (E_RNA)
where:
Base-Base interactions energy: -313.131
where: short stacking energy: -114.773
Base-Backbone interact. energy: -0.788
local terms energy: -129.068325
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -29.354
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -32.236
Dist. restrs. and SS energy: 0.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -425.861950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.861950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.687338 (E_RNA)
where:
Base-Base interactions energy: -289.254
where: short stacking energy: -110.098
Base-Backbone interact. energy: -0.523
local terms energy: -137.910102
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -30.484
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: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -527.611044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.611044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.611044 (E_RNA)
where:
Base-Base interactions energy: -376.717
where: short stacking energy: -144.889
Base-Backbone interact. energy: -1.319
local terms energy: -149.575123
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -38.826
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -534.328254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.328254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.474260 (E_RNA)
where:
Base-Base interactions energy: -377.644
where: short stacking energy: -153.365
Base-Backbone interact. energy: -0.623
local terms energy: -156.206692
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -34.891
Dist. restrs. and SS energy: 0.146 (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: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -514.829473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.829473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.046035 (E_RNA)
where:
Base-Base interactions energy: -362.865
where: short stacking energy: -132.362
Base-Backbone interact. energy: -0.093
local terms energy: -152.088026
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -43.586
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -496.015274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.015274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.128696 (E_RNA)
where:
Base-Base interactions energy: -347.259
where: short stacking energy: -144.129
Base-Backbone interact. energy: 0.601
local terms energy: -149.470307
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -38.591
Dist. restrs. and SS energy: 0.113 (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: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -486.033039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.033039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.366447 (E_RNA)
where:
Base-Base interactions energy: -339.952
where: short stacking energy: -138.425
Base-Backbone interact. energy: -2.092
local terms energy: -144.321655
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -35.887
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -485.566371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.566371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.692166 (E_RNA)
where:
Base-Base interactions energy: -350.157
where: short stacking energy: -144.695
Base-Backbone interact. energy: 1.561
local terms energy: -137.096629
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -462.364657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.364657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.685866 (E_RNA)
where:
Base-Base interactions energy: -326.680
where: short stacking energy: -127.726
Base-Backbone interact. energy: -0.186
local terms energy: -135.819820
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -33.392
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -452.873969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.873969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.121512 (E_RNA)
where:
Base-Base interactions energy: -311.583
where: short stacking energy: -118.752
Base-Backbone interact. energy: -0.095
local terms energy: -141.442880
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -37.370
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: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -435.416270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.416270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.953796 (E_RNA)
where:
Base-Base interactions energy: -318.313
where: short stacking energy: -121.148
Base-Backbone interact. energy: 0.610
local terms energy: -118.251279
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -23.557
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -31.338
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -429.265101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.265101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.822673 (E_RNA)
where:
Base-Base interactions energy: -309.033
where: short stacking energy: -128.090
Base-Backbone interact. energy: 0.754
local terms energy: -121.543370
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -25.357
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -521.272273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.272273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.475277 (E_RNA)
where:
Base-Base interactions energy: -368.199
where: short stacking energy: -153.604
Base-Backbone interact. energy: -0.269
local terms energy: -153.007419
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -30.244
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -21.976
tors. eta vs tors. theta energy: -40.641
Dist. restrs. and SS energy: 0.203 (S_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: 463
Temperature: 0.950000
Total energy: -534.347543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.347543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.480989 (E_RNA)
where:
Base-Base interactions energy: -382.771
where: short stacking energy: -156.550
Base-Backbone interact. energy: -0.841
local terms energy: -150.868831
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -41.770
Dist. restrs. and SS energy: 0.133 (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: 9
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -502.630658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.630658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.741867 (E_RNA)
where:
Base-Base interactions energy: -349.244
where: short stacking energy: -144.402
Base-Backbone interact. energy: 0.042
local terms energy: -153.540435
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -37.187
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -502.298606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.298606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.567156 (E_RNA)
where:
Base-Base interactions energy: -354.023
where: short stacking energy: -139.691
Base-Backbone interact. energy: -0.258
local terms energy: -148.286142
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -38.816
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -510.276443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.276443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.374143 (E_RNA)
where:
Base-Base interactions energy: -354.154
where: short stacking energy: -146.668
Base-Backbone interact. energy: -0.904
local terms energy: -155.316683
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -33.435
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -38.483
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -479.675361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.675361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.991409 (E_RNA)
where:
Base-Base interactions energy: -349.160
where: short stacking energy: -127.394
Base-Backbone interact. energy: 0.160
local terms energy: -130.991513
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -450.229653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.229653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.894268 (E_RNA)
where:
Base-Base interactions energy: -318.440
where: short stacking energy: -122.755
Base-Backbone interact. energy: 2.067
local terms energy: -134.521394
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -28.468
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: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -454.334124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.334124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.480180 (E_RNA)
where:
Base-Base interactions energy: -314.148
where: short stacking energy: -115.824
Base-Backbone interact. energy: 0.165
local terms energy: -140.496881
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -32.109
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -449.579414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.579414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.760340 (E_RNA)
where:
Base-Base interactions energy: -323.723
where: short stacking energy: -128.994
Base-Backbone interact. energy: -0.413
local terms energy: -125.624053
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -27.192
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -33.607
Dist. restrs. and SS energy: 0.181 (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: 463
Temperature: 1.350000
Total energy: -432.437629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.437629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.137310 (E_RNA)
where:
Base-Base interactions energy: -316.309
where: short stacking energy: -124.323
Base-Backbone interact. energy: 1.705
local terms energy: -118.533672
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -33.490
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -541.229553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.229553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.267903 (E_RNA)
where:
Base-Base interactions energy: -383.361
where: short stacking energy: -152.385
Base-Backbone interact. energy: -1.356
local terms energy: -156.551047
where:
bonds (distance) C4'-P energy: -30.280
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -41.873
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -520.610610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.610610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.886248 (E_RNA)
where:
Base-Base interactions energy: -371.025
where: short stacking energy: -160.190
Base-Backbone interact. energy: 1.085
local terms energy: -150.946152
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -41.046
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -511.629749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.629749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.790389 (E_RNA)
where:
Base-Base interactions energy: -357.203
where: short stacking energy: -145.833
Base-Backbone interact. energy: -0.453
local terms energy: -154.134206
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: -40.277
Dist. restrs. and SS energy: 0.161 (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: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -495.149039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.149039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.224587 (E_RNA)
where:
Base-Base interactions energy: -351.612
where: short stacking energy: -148.717
Base-Backbone interact. energy: 0.819
local terms energy: -144.431261
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -43.704
Dist. restrs. and SS energy: 0.076 (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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -498.293317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.293317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.627759 (E_RNA)
where:
Base-Base interactions energy: -354.997
where: short stacking energy: -146.439
Base-Backbone interact. energy: 1.751
local terms energy: -145.381633
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -40.646
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -482.803527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.803527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.065121 (E_RNA)
where:
Base-Base interactions energy: -345.512
where: short stacking energy: -134.301
Base-Backbone interact. energy: 0.742
local terms energy: -138.294468
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -29.172
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -37.912
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -471.723019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.723019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.152497 (E_RNA)
where:
Base-Base interactions energy: -334.234
where: short stacking energy: -134.779
Base-Backbone interact. energy: -0.396
local terms energy: -137.522359
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -31.287
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -439.808946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.808946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.266264 (E_RNA)
where:
Base-Base interactions energy: -306.213
where: short stacking energy: -114.010
Base-Backbone interact. energy: -0.863
local terms energy: -133.189969
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.457 (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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -440.239823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.239823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.672910 (E_RNA)
where:
Base-Base interactions energy: -320.913
where: short stacking energy: -123.157
Base-Backbone interact. energy: 3.783
local terms energy: -123.543327
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -27.607
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -34.532
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -430.043695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.043695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.447685 (E_RNA)
where:
Base-Base interactions energy: -312.158
where: short stacking energy: -130.472
Base-Backbone interact. energy: -0.337
local terms energy: -117.952607
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -23.634
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -34.335
Dist. restrs. and SS energy: 0.404 (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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -531.551913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.551913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.781593 (E_RNA)
where:
Base-Base interactions energy: -374.317
where: short stacking energy: -159.249
Base-Backbone interact. energy: -0.802
local terms energy: -156.662676
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -42.928
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -508.792787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.792787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.987188 (E_RNA)
where:
Base-Base interactions energy: -358.304
where: short stacking energy: -134.460
Base-Backbone interact. energy: -0.611
local terms energy: -150.071812
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -28.019
tors. eta vs tors. theta energy: -32.882
Dist. restrs. and SS energy: 0.194 (S_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: 465
Temperature: 1.000000
Total energy: -514.219201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.219201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.391539 (E_RNA)
where:
Base-Base interactions energy: -365.218
where: short stacking energy: -154.754
Base-Backbone interact. energy: -0.904
local terms energy: -148.269189
where:
bonds (distance) C4'-P energy: -29.262
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -493.993708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.993708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.253283 (E_RNA)
where:
Base-Base interactions energy: -354.364
where: short stacking energy: -143.555
Base-Backbone interact. energy: -0.743
local terms energy: -139.145687
where:
bonds (distance) C4'-P energy: -23.669
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -29.408
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -32.321
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -486.711195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.711195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.881091 (E_RNA)
where:
Base-Base interactions energy: -351.022
where: short stacking energy: -130.024
Base-Backbone interact. energy: 1.429
local terms energy: -137.288293
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -35.735
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -484.134748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.134748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.761231 (E_RNA)
where:
Base-Base interactions energy: -341.122
where: short stacking energy: -137.162
Base-Backbone interact. energy: -0.201
local terms energy: -143.438195
where:
bonds (distance) C4'-P energy: -26.681
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -31.775
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -37.267
Dist. restrs. and SS energy: 0.626 (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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -471.506722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.506722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.015874 (E_RNA)
where:
Base-Base interactions energy: -333.167
where: short stacking energy: -131.311
Base-Backbone interact. energy: -0.310
local terms energy: -138.538950
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -34.681
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -446.444027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.444027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.735132 (E_RNA)
where:
Base-Base interactions energy: -324.331
where: short stacking energy: -134.084
Base-Backbone interact. energy: 0.423
local terms energy: -122.827132
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -419.013691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.013691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.553147 (E_RNA)
where:
Base-Base interactions energy: -305.797
where: short stacking energy: -117.009
Base-Backbone interact. energy: 0.742
local terms energy: -114.498286
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: -27.647
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: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -432.079538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.079538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.338845 (E_RNA)
where:
Base-Base interactions energy: -313.826
where: short stacking energy: -118.766
Base-Backbone interact. energy: -0.757
local terms energy: -117.756070
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -533.008863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.008863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.107177 (E_RNA)
where:
Base-Base interactions energy: -377.157
where: short stacking energy: -142.746
Base-Backbone interact. energy: -0.649
local terms energy: -155.301062
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -21.599
tors. eta vs tors. theta energy: -38.449
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -532.507444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.507444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.314191 (E_RNA)
where:
Base-Base interactions energy: -382.414
where: short stacking energy: -146.121
Base-Backbone interact. energy: -0.443
local terms energy: -150.456804
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -516.531328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.531328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.550639 (E_RNA)
where:
Base-Base interactions energy: -363.129
where: short stacking energy: -156.151
Base-Backbone interact. energy: 3.821
local terms energy: -157.242708
where:
bonds (distance) C4'-P energy: -27.748
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -35.439
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -43.822
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -507.855117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.855117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.021938 (E_RNA)
where:
Base-Base interactions energy: -357.640
where: short stacking energy: -149.358
Base-Backbone interact. energy: -0.618
local terms energy: -149.763461
where:
bonds (distance) C4'-P energy: -27.819
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -34.445
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -488.528030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.528030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.647651 (E_RNA)
where:
Base-Base interactions energy: -337.596
where: short stacking energy: -133.955
Base-Backbone interact. energy: 1.496
local terms energy: -152.547731
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -27.679
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.120 (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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -485.159007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.159007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.283357 (E_RNA)
where:
Base-Base interactions energy: -334.695
where: short stacking energy: -129.558
Base-Backbone interact. energy: -1.032
local terms energy: -149.556260
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -466.765570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.765570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.629273 (E_RNA)
where:
Base-Base interactions energy: -324.298
where: short stacking energy: -136.010
Base-Backbone interact. energy: 0.713
local terms energy: -144.043956
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -37.715
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -437.241554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.241554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.551844 (E_RNA)
where:
Base-Base interactions energy: -314.033
where: short stacking energy: -132.734
Base-Backbone interact. energy: -0.339
local terms energy: -123.179682
where:
bonds (distance) C4'-P energy: -22.063
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -467.485705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.485705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.780837 (E_RNA)
where:
Base-Base interactions energy: -332.778
where: short stacking energy: -134.523
Base-Backbone interact. energy: -0.036
local terms energy: -134.967007
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -34.959
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -438.706105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.706105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.953124 (E_RNA)
where:
Base-Base interactions energy: -317.488
where: short stacking energy: -121.949
Base-Backbone interact. energy: 0.060
local terms energy: -121.524658
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -28.236
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.247 (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: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -546.234695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.234695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.389383 (E_RNA)
where:
Base-Base interactions energy: -389.705
where: short stacking energy: -160.455
Base-Backbone interact. energy: -1.152
local terms energy: -155.531981
where:
bonds (distance) C4'-P energy: -28.758
bonds (distance) P-C4' energy: -30.955
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -39.230
Dist. restrs. and SS energy: 0.155 (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: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -519.098070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.098070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.440515 (E_RNA)
where:
Base-Base interactions energy: -371.842
where: short stacking energy: -161.123
Base-Backbone interact. energy: -1.700
local terms energy: -145.899289
where:
bonds (distance) C4'-P energy: -25.242
bonds (distance) P-C4' energy: -24.517
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -43.965
Dist. restrs. and SS energy: 0.342 (S_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: -518.241069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.241069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.401802 (E_RNA)
where:
Base-Base interactions energy: -373.907
where: short stacking energy: -146.319
Base-Backbone interact. energy: -0.188
local terms energy: -144.306674
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -33.442
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -40.094
Dist. restrs. and SS energy: 0.161 (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: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -490.437144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.437144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.925981 (E_RNA)
where:
Base-Base interactions energy: -343.216
where: short stacking energy: -145.798
Base-Backbone interact. energy: 0.110
local terms energy: -147.819895
where:
bonds (distance) C4'-P energy: -26.711
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -29.040
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -487.210126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.210126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.305575 (E_RNA)
where:
Base-Base interactions energy: -348.556
where: short stacking energy: -133.276
Base-Backbone interact. energy: -0.820
local terms energy: -137.929307
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -25.770
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -32.515
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -472.765959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.765959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.997359 (E_RNA)
where:
Base-Base interactions energy: -342.965
where: short stacking energy: -128.455
Base-Backbone interact. energy: 1.928
local terms energy: -131.960461
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -25.557
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -36.735
Dist. restrs. and SS energy: 0.231 (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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -452.842848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.842848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.738951 (E_RNA)
where:
Base-Base interactions energy: -331.311
where: short stacking energy: -124.497
Base-Backbone interact. energy: 0.218
local terms energy: -122.646294
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -28.891
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -32.697
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: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -464.927826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.927826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.608037 (E_RNA)
where:
Base-Base interactions energy: -336.875
where: short stacking energy: -132.866
Base-Backbone interact. energy: -0.690
local terms energy: -128.042351
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -34.654
Dist. restrs. and SS energy: 0.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -462.957432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.957432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.194629 (E_RNA)
where:
Base-Base interactions energy: -324.877
where: short stacking energy: -129.826
Base-Backbone interact. energy: -0.956
local terms energy: -137.362111
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: -32.042
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -416.529595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.529595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.067479 (E_RNA)
where:
Base-Base interactions energy: -297.262
where: short stacking energy: -108.666
Base-Backbone interact. energy: 0.630
local terms energy: -120.435942
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -24.666
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -536.783341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.783341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.875807 (E_RNA)
where:
Base-Base interactions energy: -379.490
where: short stacking energy: -155.112
Base-Backbone interact. energy: -0.278
local terms energy: -157.107901
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -35.178
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.092 (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: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -523.016040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.016040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.220731 (E_RNA)
where:
Base-Base interactions energy: -372.346
where: short stacking energy: -163.473
Base-Backbone interact. energy: -0.469
local terms energy: -150.404989
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -26.234
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -43.209
Dist. restrs. and SS energy: 0.205 (S_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: -515.983414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.983414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.345563 (E_RNA)
where:
Base-Base interactions energy: -369.323
where: short stacking energy: -139.545
Base-Backbone interact. energy: 1.897
local terms energy: -148.919499
where:
bonds (distance) C4'-P energy: -29.598
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -500.415008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.415008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.849668 (E_RNA)
where:
Base-Base interactions energy: -351.957
where: short stacking energy: -134.999
Base-Backbone interact. energy: -1.123
local terms energy: -147.769726
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: 0.435 (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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -487.625846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.625846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.022586 (E_RNA)
where:
Base-Base interactions energy: -351.001
where: short stacking energy: -138.991
Base-Backbone interact. energy: -0.356
local terms energy: -136.665456
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -29.433
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -18.809
tors. eta vs tors. theta energy: -36.046
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: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -496.382891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.382891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.501432 (E_RNA)
where:
Base-Base interactions energy: -345.962
where: short stacking energy: -133.747
Base-Backbone interact. energy: 0.035
local terms energy: -150.574623
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -36.128
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -466.724768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.724768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.038141 (E_RNA)
where:
Base-Base interactions energy: -342.882
where: short stacking energy: -136.891
Base-Backbone interact. energy: 0.465
local terms energy: -124.620868
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.313 (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: 468
Temperature: 1.250000
Total energy: -455.708694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.708694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.841122 (E_RNA)
where:
Base-Base interactions energy: -336.472
where: short stacking energy: -130.950
Base-Backbone interact. energy: 0.691
local terms energy: -120.059629
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -444.765777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.765777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.255208 (E_RNA)
where:
Base-Base interactions energy: -322.371
where: short stacking energy: -128.670
Base-Backbone interact. energy: 4.919
local terms energy: -127.802874
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -31.177
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -35.410
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -434.449352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.449352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.022957 (E_RNA)
where:
Base-Base interactions energy: -312.917
where: short stacking energy: -120.740
Base-Backbone interact. energy: -0.893
local terms energy: -121.212648
where:
bonds (distance) C4'-P energy: -25.032
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -30.805
Dist. restrs. and SS energy: 0.574 (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: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -530.666728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.666728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.006618 (E_RNA)
where:
Base-Base interactions energy: -375.234
where: short stacking energy: -168.115
Base-Backbone interact. energy: -0.902
local terms energy: -154.870071
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -43.890
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -515.179022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.179022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.394149 (E_RNA)
where:
Base-Base interactions energy: -361.747
where: short stacking energy: -127.999
Base-Backbone interact. energy: -1.478
local terms energy: -152.169121
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -30.970
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -32.228
Dist. restrs. and SS energy: 0.215 (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: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -502.956032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.956032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.131914 (E_RNA)
where:
Base-Base interactions energy: -354.390
where: short stacking energy: -139.008
Base-Backbone interact. energy: 0.535
local terms energy: -149.276560
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -39.258
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -511.980722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.980722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.103940 (E_RNA)
where:
Base-Base interactions energy: -366.665
where: short stacking energy: -143.043
Base-Backbone interact. energy: -0.440
local terms energy: -144.999585
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -36.235
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -478.906836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.906836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.993801 (E_RNA)
where:
Base-Base interactions energy: -347.493
where: short stacking energy: -141.386
Base-Backbone interact. energy: 0.291
local terms energy: -131.792120
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -39.743
Dist. restrs. and SS energy: 0.087 (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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -493.342141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.342141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.785643 (E_RNA)
where:
Base-Base interactions energy: -339.236
where: short stacking energy: -139.454
Base-Backbone interact. energy: -0.062
local terms energy: -154.487617
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -30.892
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -27.780
tors. eta vs tors. theta energy: -38.317
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -455.974607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.974607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.305974 (E_RNA)
where:
Base-Base interactions energy: -321.553
where: short stacking energy: -125.185
Base-Backbone interact. energy: -0.431
local terms energy: -134.322259
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -30.602
Dist. restrs. and SS energy: 0.331 (S_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: 469
Temperature: 1.250000
Total energy: -465.763817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.763817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.819766 (E_RNA)
where:
Base-Base interactions energy: -328.615
where: short stacking energy: -137.089
Base-Backbone interact. energy: -0.627
local terms energy: -136.577805
where:
bonds (distance) C4'-P energy: -25.349
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -38.937
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -444.849612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.849612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.230440 (E_RNA)
where:
Base-Base interactions energy: -326.325
where: short stacking energy: -117.084
Base-Backbone interact. energy: 4.855
local terms energy: -123.760686
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -28.365
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -28.627
Dist. restrs. and SS energy: 0.381 (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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -431.643395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.643395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.310298 (E_RNA)
where:
Base-Base interactions energy: -309.946
where: short stacking energy: -117.420
Base-Backbone interact. energy: 1.856
local terms energy: -124.220611
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -21.855
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -524.490037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.490037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.717251 (E_RNA)
where:
Base-Base interactions energy: -378.720
where: short stacking energy: -146.682
Base-Backbone interact. energy: -0.624
local terms energy: -145.373286
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -24.747
tors. eta vs tors. theta energy: -38.865
Dist. restrs. and SS energy: 0.227 (S_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: -515.675523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.675523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.317623 (E_RNA)
where:
Base-Base interactions energy: -362.026
where: short stacking energy: -148.097
Base-Backbone interact. energy: -0.764
local terms energy: -153.527026
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -33.061
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -39.514
Dist. restrs. and SS energy: 0.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -506.832870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.832870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.211494 (E_RNA)
where:
Base-Base interactions energy: -363.254
where: short stacking energy: -146.005
Base-Backbone interact. energy: -0.608
local terms energy: -143.348988
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -34.095
Dist. restrs. and SS energy: 0.379 (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: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -490.020349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.020349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.388392 (E_RNA)
where:
Base-Base interactions energy: -339.531
where: short stacking energy: -132.612
Base-Backbone interact. energy: -0.174
local terms energy: -150.683274
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -37.877
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: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -501.718246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.718246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.927312 (E_RNA)
where:
Base-Base interactions energy: -355.087
where: short stacking energy: -147.579
Base-Backbone interact. energy: -0.049
local terms energy: -146.791358
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -28.911
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -38.097
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -479.404961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.404961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.556180 (E_RNA)
where:
Base-Base interactions energy: -339.318
where: short stacking energy: -136.468
Base-Backbone interact. energy: -0.794
local terms energy: -139.444765
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -31.926
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.151 (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: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -452.296533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.296533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.920341 (E_RNA)
where:
Base-Base interactions energy: -323.086
where: short stacking energy: -135.738
Base-Backbone interact. energy: 0.195
local terms energy: -130.029523
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -465.507216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.507216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.529247 (E_RNA)
where:
Base-Base interactions energy: -330.553
where: short stacking energy: -137.224
Base-Backbone interact. energy: -0.488
local terms energy: -135.487962
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 1.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -447.641855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.641855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.837839 (E_RNA)
where:
Base-Base interactions energy: -325.426
where: short stacking energy: -122.194
Base-Backbone interact. energy: -0.910
local terms energy: -121.501841
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -29.798
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -445.039943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.039943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.165290 (E_RNA)
where:
Base-Base interactions energy: -310.157
where: short stacking energy: -122.797
Base-Backbone interact. energy: -0.281
local terms energy: -134.727307
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -27.056
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -34.801
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -534.059034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.059034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.091546 (E_RNA)
where:
Base-Base interactions energy: -379.886
where: short stacking energy: -145.798
Base-Backbone interact. energy: -0.631
local terms energy: -153.574218
where:
bonds (distance) C4'-P energy: -29.963
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -509.650851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.650851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.732298 (E_RNA)
where:
Base-Base interactions energy: -360.432
where: short stacking energy: -138.704
Base-Backbone interact. energy: 0.397
local terms energy: -149.696834
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -31.643
flat angles P-C4'-P energy: -26.718
tors. eta vs tors. theta energy: -36.085
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -500.811569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.811569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.252616 (E_RNA)
where:
Base-Base interactions energy: -355.352
where: short stacking energy: -157.978
Base-Backbone interact. energy: -0.382
local terms energy: -145.518965
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -41.295
Dist. restrs. and SS energy: 0.441 (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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -502.552772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.552772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.646282 (E_RNA)
where:
Base-Base interactions energy: -349.994
where: short stacking energy: -136.840
Base-Backbone interact. energy: 0.155
local terms energy: -152.807955
where:
bonds (distance) C4'-P energy: -27.296
bonds (distance) P-C4' energy: -32.582
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -495.806287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.806287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.245493 (E_RNA)
where:
Base-Base interactions energy: -363.891
where: short stacking energy: -135.193
Base-Backbone interact. energy: -0.273
local terms energy: -132.082188
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -474.464162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.464162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.741543 (E_RNA)
where:
Base-Base interactions energy: -339.406
where: short stacking energy: -127.641
Base-Backbone interact. energy: -0.648
local terms energy: -134.687472
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -21.941
tors. eta vs tors. theta energy: -32.539
Dist. restrs. and SS energy: 0.277 (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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -464.345417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.345417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.480265 (E_RNA)
where:
Base-Base interactions energy: -329.747
where: short stacking energy: -126.899
Base-Backbone interact. energy: -0.384
local terms energy: -134.349115
where:
bonds (distance) C4'-P energy: -26.872
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -462.960083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.960083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.671272 (E_RNA)
where:
Base-Base interactions energy: -339.185
where: short stacking energy: -127.285
Base-Backbone interact. energy: 0.937
local terms energy: -125.423246
where:
bonds (distance) C4'-P energy: -23.637
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -439.822541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.822541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.262411 (E_RNA)
where:
Base-Base interactions energy: -314.185
where: short stacking energy: -126.875
Base-Backbone interact. energy: -0.166
local terms energy: -125.912155
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -35.449
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.440 (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: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -437.696232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.696232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.023628 (E_RNA)
where:
Base-Base interactions energy: -312.154
where: short stacking energy: -119.633
Base-Backbone interact. energy: -0.404
local terms energy: -125.465975
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -34.710
Dist. restrs. and SS energy: 0.327 (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: 10
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -533.120418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.120418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.215752 (E_RNA)
where:
Base-Base interactions energy: -377.015
where: short stacking energy: -150.072
Base-Backbone interact. energy: 0.180
local terms energy: -156.381199
where:
bonds (distance) C4'-P energy: -33.364
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -38.449
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -519.996956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.996956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.314217 (E_RNA)
where:
Base-Base interactions energy: -370.611
where: short stacking energy: -150.508
Base-Backbone interact. energy: 2.107
local terms energy: -151.810152
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -29.654
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -39.916
Dist. restrs. and SS energy: 0.317 (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: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -516.962724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.962724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.196658 (E_RNA)
where:
Base-Base interactions energy: -363.339
where: short stacking energy: -155.699
Base-Backbone interact. energy: -0.653
local terms energy: -153.204053
where:
bonds (distance) C4'-P energy: -27.049
bonds (distance) P-C4' energy: -32.943
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -22.447
tors. eta vs tors. theta energy: -40.108
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -497.717149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.717149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.024338 (E_RNA)
where:
Base-Base interactions energy: -353.776
where: short stacking energy: -144.863
Base-Backbone interact. energy: 2.527
local terms energy: -146.775393
where:
bonds (distance) C4'-P energy: -24.790
bonds (distance) P-C4' energy: -26.664
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -38.593
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -488.090008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.090008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.326812 (E_RNA)
where:
Base-Base interactions energy: -347.323
where: short stacking energy: -140.572
Base-Backbone interact. energy: 0.262
local terms energy: -141.266073
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -34.004
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -33.964
Dist. restrs. and SS energy: 0.237 (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: 472
Temperature: 1.150000
Total energy: -473.089873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.089873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.214413 (E_RNA)
where:
Base-Base interactions energy: -330.774
where: short stacking energy: -131.599
Base-Backbone interact. energy: -0.304
local terms energy: -142.136823
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -30.584
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -471.458613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.458613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.712765 (E_RNA)
where:
Base-Base interactions energy: -338.976
where: short stacking energy: -137.638
Base-Backbone interact. energy: -1.093
local terms energy: -131.644138
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -28.870
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -38.722
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -459.783958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.783958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.024521 (E_RNA)
where:
Base-Base interactions energy: -336.168
where: short stacking energy: -135.848
Base-Backbone interact. energy: -0.215
local terms energy: -123.641640
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -23.980
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -20.265
tors. eta vs tors. theta energy: -35.261
Dist. restrs. and SS energy: 0.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -433.181892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.181892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.860801 (E_RNA)
where:
Base-Base interactions energy: -297.624
where: short stacking energy: -115.251
Base-Backbone interact. energy: -0.508
local terms energy: -135.727968
where:
bonds (distance) C4'-P energy: -23.682
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -433.134413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.134413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.445095 (E_RNA)
where:
Base-Base interactions energy: -309.815
where: short stacking energy: -116.163
Base-Backbone interact. energy: -0.407
local terms energy: -123.222708
where:
bonds (distance) C4'-P energy: -21.107
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -29.433
Dist. restrs. and SS energy: 0.311 (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: 473
Temperature: 0.900000
Total energy: -536.032737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.032737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.613047 (E_RNA)
where:
Base-Base interactions energy: -385.588
where: short stacking energy: -151.511
Base-Backbone interact. energy: -0.892
local terms energy: -150.132172
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -28.224
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -42.769
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: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -530.335039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.335039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.517591 (E_RNA)
where:
Base-Base interactions energy: -377.176
where: short stacking energy: -157.424
Base-Backbone interact. energy: 0.469
local terms energy: -153.811187
where:
bonds (distance) C4'-P energy: -28.525
bonds (distance) P-C4' energy: -30.471
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -42.756
Dist. restrs. and SS energy: 0.183 (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: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -512.325986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.325986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.496482 (E_RNA)
where:
Base-Base interactions energy: -357.582
where: short stacking energy: -151.123
Base-Backbone interact. energy: -0.808
local terms energy: -154.106586
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -43.552
Dist. restrs. and SS energy: 0.170 (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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -499.366600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.366600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.692224 (E_RNA)
where:
Base-Base interactions energy: -354.612
where: short stacking energy: -148.350
Base-Backbone interact. energy: -1.005
local terms energy: -144.075056
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -25.790
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.326 (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: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -476.562311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.562311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.213706 (E_RNA)
where:
Base-Base interactions energy: -328.269
where: short stacking energy: -125.513
Base-Backbone interact. energy: 0.274
local terms energy: -149.218399
where:
bonds (distance) C4'-P energy: -29.474
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -31.106
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: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -471.326793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.326793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.482143 (E_RNA)
where:
Base-Base interactions energy: -333.575
where: short stacking energy: -133.408
Base-Backbone interact. energy: -0.930
local terms energy: -136.976932
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -23.496
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.155 (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: 473
Temperature: 1.200000
Total energy: -481.942873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.942873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.384124 (E_RNA)
where:
Base-Base interactions energy: -342.962
where: short stacking energy: -133.333
Base-Backbone interact. energy: 1.660
local terms energy: -141.082255
where:
bonds (distance) C4'-P energy: -27.486
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -29.225
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -449.585684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.585684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.636271 (E_RNA)
where:
Base-Base interactions energy: -323.323
where: short stacking energy: -126.597
Base-Backbone interact. energy: -0.372
local terms energy: -125.941624
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -26.532
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -32.043
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -443.786129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.786129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.051147 (E_RNA)
where:
Base-Base interactions energy: -316.295
where: short stacking energy: -122.287
Base-Backbone interact. energy: 0.869
local terms energy: -128.625420
where:
bonds (distance) C4'-P energy: -25.296
bonds (distance) P-C4' energy: -23.470
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -32.628
Dist. restrs. and SS energy: 0.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -422.607814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.607814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.558986 (E_RNA)
where:
Base-Base interactions energy: -312.665
where: short stacking energy: -114.142
Base-Backbone interact. energy: 0.869
local terms energy: -114.762808
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -18.180
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 3.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -528.619905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.619905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.896350 (E_RNA)
where:
Base-Base interactions energy: -374.633
where: short stacking energy: -149.582
Base-Backbone interact. energy: -0.562
local terms energy: -153.701531
where:
bonds (distance) C4'-P energy: -23.922
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -530.081084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.081084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.242207 (E_RNA)
where:
Base-Base interactions energy: -366.342
where: short stacking energy: -142.464
Base-Backbone interact. energy: -2.577
local terms energy: -161.323695
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -32.906
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -37.776
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -505.520556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.520556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.112681 (E_RNA)
where:
Base-Base interactions energy: -347.399
where: short stacking energy: -137.901
Base-Backbone interact. energy: -0.505
local terms energy: -158.208233
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -39.711
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: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -493.612061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.612061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.838538 (E_RNA)
where:
Base-Base interactions energy: -352.857
where: short stacking energy: -146.699
Base-Backbone interact. energy: -0.392
local terms energy: -140.589238
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -31.686
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -496.419363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.419363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.585247 (E_RNA)
where:
Base-Base interactions energy: -343.922
where: short stacking energy: -150.716
Base-Backbone interact. energy: -0.768
local terms energy: -151.895200
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -29.055
flat angles C4'-P-C4' energy: -34.242
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -42.464
Dist. restrs. and SS energy: 0.166 (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: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -472.446691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.446691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.655784 (E_RNA)
where:
Base-Base interactions energy: -346.652
where: short stacking energy: -140.478
Base-Backbone interact. energy: 2.322
local terms energy: -128.325692
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -37.890
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -456.893571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.893571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.197478 (E_RNA)
where:
Base-Base interactions energy: -326.242
where: short stacking energy: -122.184
Base-Backbone interact. energy: 0.547
local terms energy: -131.502638
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -28.472
flat angles C4'-P-C4' energy: -24.542
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -32.067
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -446.846519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.846519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.377580 (E_RNA)
where:
Base-Base interactions energy: -309.863
where: short stacking energy: -120.349
Base-Backbone interact. energy: 1.342
local terms energy: -138.856532
where:
bonds (distance) C4'-P energy: -29.247
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -37.673
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: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -425.964479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.964479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.152272 (E_RNA)
where:
Base-Base interactions energy: -290.637
where: short stacking energy: -121.087
Base-Backbone interact. energy: 1.880
local terms energy: -137.395402
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -22.775
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -403.676339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.676339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.140197 (E_RNA)
where:
Base-Base interactions energy: -285.480
where: short stacking energy: -109.004
Base-Backbone interact. energy: -0.455
local terms energy: -121.204589
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -29.184
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -529.676329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.676329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.754965 (E_RNA)
where:
Base-Base interactions energy: -380.478
where: short stacking energy: -144.926
Base-Backbone interact. energy: -0.658
local terms energy: -148.619309
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -31.943
flat angles P-C4'-P energy: -21.497
tors. eta vs tors. theta energy: -35.871
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -511.038657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.038657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.209893 (E_RNA)
where:
Base-Base interactions energy: -357.864
where: short stacking energy: -153.655
Base-Backbone interact. energy: -0.378
local terms energy: -152.967960
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -28.586
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -39.800
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -523.833213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.833213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.916257 (E_RNA)
where:
Base-Base interactions energy: -367.016
where: short stacking energy: -156.943
Base-Backbone interact. energy: -0.830
local terms energy: -156.070637
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -43.285
Dist. restrs. and SS energy: 0.083 (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: 475
Temperature: 1.050000
Total energy: -506.421730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.421730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.933067 (E_RNA)
where:
Base-Base interactions energy: -366.777
where: short stacking energy: -156.963
Base-Backbone interact. energy: 1.333
local terms energy: -141.489204
where:
bonds (distance) C4'-P energy: -25.301
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -486.856298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.856298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.972774 (E_RNA)
where:
Base-Base interactions energy: -338.612
where: short stacking energy: -132.103
Base-Backbone interact. energy: 0.306
local terms energy: -148.667136
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -25.702
tors. eta vs tors. theta energy: -34.022
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -484.976055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.976055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.302410 (E_RNA)
where:
Base-Base interactions energy: -353.091
where: short stacking energy: -138.825
Base-Backbone interact. energy: 2.025
local terms energy: -134.236898
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.326 (S_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: 475
Temperature: 1.200000
Total energy: -473.027155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.027155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.287229 (E_RNA)
where:
Base-Base interactions energy: -328.776
where: short stacking energy: -139.365
Base-Backbone interact. energy: 0.110
local terms energy: -144.621575
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -40.282
Dist. restrs. and SS energy: 0.260 (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: 475
Temperature: 1.250000
Total energy: -471.015429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.015429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.425407 (E_RNA)
where:
Base-Base interactions energy: -333.796
where: short stacking energy: -128.156
Base-Backbone interact. energy: 1.101
local terms energy: -138.730518
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -28.409
flat angles C4'-P-C4' energy: -31.433
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -30.742
Dist. restrs. and SS energy: 0.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -434.038576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.038576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.588614 (E_RNA)
where:
Base-Base interactions energy: -307.725
where: short stacking energy: -122.949
Base-Backbone interact. energy: 0.265
local terms energy: -127.128954
where:
bonds (distance) C4'-P energy: -21.922
bonds (distance) P-C4' energy: -23.209
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -30.544
Dist. restrs. and SS energy: 0.550 (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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -427.492743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.492743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.404973 (E_RNA)
where:
Base-Base interactions energy: -312.010
where: short stacking energy: -128.185
Base-Backbone interact. energy: 0.499
local terms energy: -119.893842
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -30.397
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: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -531.086638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.086638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.210842 (E_RNA)
where:
Base-Base interactions energy: -378.192
where: short stacking energy: -167.659
Base-Backbone interact. energy: -0.146
local terms energy: -152.872292
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -527.190339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.190339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.340580 (E_RNA)
where:
Base-Base interactions energy: -372.312
where: short stacking energy: -140.295
Base-Backbone interact. energy: -0.952
local terms energy: -154.076665
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -36.577
Dist. restrs. and SS energy: 0.150 (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: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -523.185711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.289396 (E_RNA)
where:
Base-Base interactions energy: -371.766
where: short stacking energy: -149.244
Base-Backbone interact. energy: -0.550
local terms energy: -150.973388
where:
bonds (distance) C4'-P energy: -25.163
bonds (distance) P-C4' energy: -30.836
flat angles C4'-P-C4' energy: -32.508
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -39.178
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -501.462940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.462940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.844540 (E_RNA)
where:
Base-Base interactions energy: -350.897
where: short stacking energy: -126.625
Base-Backbone interact. energy: -0.078
local terms energy: -150.870098
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -33.328
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -36.000
Dist. restrs. and SS energy: 0.382 (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: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -480.978517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.978517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.320062 (E_RNA)
where:
Base-Base interactions energy: -335.582
where: short stacking energy: -134.721
Base-Backbone interact. energy: -0.615
local terms energy: -145.122387
where:
bonds (distance) C4'-P energy: -31.801
bonds (distance) P-C4' energy: -28.490
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -34.928
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -469.639573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.963604 (E_RNA)
where:
Base-Base interactions energy: -347.047
where: short stacking energy: -137.200
Base-Backbone interact. energy: 0.689
local terms energy: -123.604863
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -27.921
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -481.314480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.314480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.605439 (E_RNA)
where:
Base-Base interactions energy: -345.339
where: short stacking energy: -137.353
Base-Backbone interact. energy: 2.080
local terms energy: -138.347094
where:
bonds (distance) C4'-P energy: -26.877
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -36.122
Dist. restrs. and SS energy: 0.291 (S_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: 476
Temperature: 1.250000
Total energy: -463.773584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.773584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.410816 (E_RNA)
where:
Base-Base interactions energy: -331.965
where: short stacking energy: -119.784
Base-Backbone interact. energy: 0.370
local terms energy: -132.814950
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -35.470
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -448.667758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.667758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.263123 (E_RNA)
where:
Base-Base interactions energy: -317.485
where: short stacking energy: -130.267
Base-Backbone interact. energy: -1.844
local terms energy: -131.934486
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -40.416
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -444.236714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.236714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.130746 (E_RNA)
where:
Base-Base interactions energy: -319.906
where: short stacking energy: -122.807
Base-Backbone interact. energy: -0.528
local terms energy: -124.697506
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -30.071
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -28.841
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -519.449738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.449738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.686176 (E_RNA)
where:
Base-Base interactions energy: -367.230
where: short stacking energy: -153.458
Base-Backbone interact. energy: 0.951
local terms energy: -153.406726
where:
bonds (distance) C4'-P energy: -34.407
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -38.525
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -527.459802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.459802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.562233 (E_RNA)
where:
Base-Base interactions energy: -370.151
where: short stacking energy: -155.023
Base-Backbone interact. energy: -0.715
local terms energy: -156.695516
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -40.936
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -509.271349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.271349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.571808 (E_RNA)
where:
Base-Base interactions energy: -367.398
where: short stacking energy: -146.154
Base-Backbone interact. energy: 0.979
local terms energy: -143.152813
where:
bonds (distance) C4'-P energy: -24.597
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -35.850
Dist. restrs. and SS energy: 0.300 (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: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -493.087816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.188022 (E_RNA)
where:
Base-Base interactions energy: -359.027
where: short stacking energy: -145.606
Base-Backbone interact. energy: 1.596
local terms energy: -135.757190
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -32.266
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.100 (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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -484.701456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.701456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.791475 (E_RNA)
where:
Base-Base interactions energy: -339.155
where: short stacking energy: -129.762
Base-Backbone interact. energy: -0.182
local terms energy: -145.454499
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.090 (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: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -474.314400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.314400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.641505 (E_RNA)
where:
Base-Base interactions energy: -335.237
where: short stacking energy: -133.958
Base-Backbone interact. energy: -0.325
local terms energy: -139.079517
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -17.959
tors. eta vs tors. theta energy: -40.574
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -470.958089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.958089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.179307 (E_RNA)
where:
Base-Base interactions energy: -330.825
where: short stacking energy: -123.366
Base-Backbone interact. energy: 1.983
local terms energy: -142.336752
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -464.135106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.135106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.378089 (E_RNA)
where:
Base-Base interactions energy: -325.078
where: short stacking energy: -131.681
Base-Backbone interact. energy: -0.798
local terms energy: -138.501940
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -33.318
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -34.285
Dist. restrs. and SS energy: 0.243 (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: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -432.936436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.936436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.286359 (E_RNA)
where:
Base-Base interactions energy: -312.469
where: short stacking energy: -111.236
Base-Backbone interact. energy: -0.438
local terms energy: -120.379012
where:
bonds (distance) C4'-P energy: -25.657
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -29.067
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: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -437.659925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.659925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.913549 (E_RNA)
where:
Base-Base interactions energy: -315.078
where: short stacking energy: -117.251
Base-Backbone interact. energy: -0.778
local terms energy: -122.057676
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. 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: -541.445666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.445666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.551844 (E_RNA)
where:
Base-Base interactions energy: -379.778
where: short stacking energy: -159.523
Base-Backbone interact. energy: 0.177
local terms energy: -161.950123
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -27.282
tors. eta vs tors. theta energy: -39.690
Dist. restrs. and SS energy: 0.106 (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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -517.589844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.589844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.905546 (E_RNA)
where:
Base-Base interactions energy: -364.377
where: short stacking energy: -145.900
Base-Backbone interact. energy: -0.553
local terms energy: -152.975119
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -23.104
tors. eta vs tors. theta energy: -35.355
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -507.035116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.035116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.144352 (E_RNA)
where:
Base-Base interactions energy: -352.910
where: short stacking energy: -146.714
Base-Backbone interact. energy: 0.511
local terms energy: -154.745395
where:
bonds (distance) C4'-P energy: -29.312
bonds (distance) P-C4' energy: -29.692
flat angles C4'-P-C4' energy: -33.968
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: -36.867
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. 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: -494.939583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.939583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.152596 (E_RNA)
where:
Base-Base interactions energy: -346.140
where: short stacking energy: -132.537
Base-Backbone interact. energy: 0.056
local terms energy: -149.067938
where:
bonds (distance) C4'-P energy: -32.823
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -29.595
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -34.069
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. 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: -485.784558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.784558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.985603 (E_RNA)
where:
Base-Base interactions energy: -347.422
where: short stacking energy: -136.237
Base-Backbone interact. energy: 4.278
local terms energy: -142.841571
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -34.239
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -482.972204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.972204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.557390 (E_RNA)
where:
Base-Base interactions energy: -349.718
where: short stacking energy: -145.167
Base-Backbone interact. energy: -0.886
local terms energy: -132.952929
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -28.561
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -41.524
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: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -459.401642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.401642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.811617 (E_RNA)
where:
Base-Base interactions energy: -325.645
where: short stacking energy: -122.421
Base-Backbone interact. energy: 0.088
local terms energy: -134.254186
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.410 (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: 478
Temperature: 1.250000
Total energy: -461.759762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.759762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.178141 (E_RNA)
where:
Base-Base interactions energy: -338.490
where: short stacking energy: -131.158
Base-Backbone interact. energy: -0.601
local terms energy: -123.086824
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -25.658
flat angles C4'-P-C4' energy: -26.966
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -34.749
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -440.228250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.228250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.800163 (E_RNA)
where:
Base-Base interactions energy: -316.472
where: short stacking energy: -125.045
Base-Backbone interact. energy: -1.370
local terms energy: -122.958179
where:
bonds (distance) C4'-P energy: -29.263
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 0.572 (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: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -452.578104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.578104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.760340 (E_RNA)
where:
Base-Base interactions energy: -315.287
where: short stacking energy: -119.554
Base-Backbone interact. energy: -0.677
local terms energy: -136.796695
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -25.668
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -539.557073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.557073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.674016 (E_RNA)
where:
Base-Base interactions energy: -377.395
where: short stacking energy: -154.715
Base-Backbone interact. energy: -0.349
local terms energy: -161.929650
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -39.833
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -516.405651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.405651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.952493 (E_RNA)
where:
Base-Base interactions energy: -356.869
where: short stacking energy: -141.704
Base-Backbone interact. energy: -0.617
local terms energy: -159.466622
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -36.331
Dist. restrs. and SS energy: 0.547 (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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -502.271011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.404437 (E_RNA)
where:
Base-Base interactions energy: -349.520
where: short stacking energy: -148.407
Base-Backbone interact. energy: 1.662
local terms energy: -154.546856
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -30.589
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -510.958384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.958384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.159949 (E_RNA)
where:
Base-Base interactions energy: -360.748
where: short stacking energy: -149.482
Base-Backbone interact. energy: 1.622
local terms energy: -152.033390
where:
bonds (distance) C4'-P energy: -31.693
bonds (distance) P-C4' energy: -27.572
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -40.491
Dist. restrs. and SS energy: 0.202 (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: 479
Temperature: 1.100000
Total energy: -494.459285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.459285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.721595 (E_RNA)
where:
Base-Base interactions energy: -352.682
where: short stacking energy: -146.256
Base-Backbone interact. energy: 0.021
local terms energy: -142.061153
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -488.761278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.761278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.916364 (E_RNA)
where:
Base-Base interactions energy: -345.842
where: short stacking energy: -144.605
Base-Backbone interact. energy: -1.075
local terms energy: -141.998856
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -40.825
Dist. restrs. and SS energy: 0.155 (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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -479.233666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.233666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.353954 (E_RNA)
where:
Base-Base interactions energy: -343.531
where: short stacking energy: -146.327
Base-Backbone interact. energy: 0.088
local terms energy: -135.911411
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -39.826
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -439.294820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.294820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.695565 (E_RNA)
where:
Base-Base interactions energy: -317.790
where: short stacking energy: -119.680
Base-Backbone interact. energy: -0.605
local terms energy: -121.301087
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -32.284
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -424.266590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.266590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.674675 (E_RNA)
where:
Base-Base interactions energy: -297.524
where: short stacking energy: -111.569
Base-Backbone interact. energy: -0.301
local terms energy: -126.849388
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -29.994
Dist. restrs. and SS energy: 0.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -436.187669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.187669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.397160 (E_RNA)
where:
Base-Base interactions energy: -318.803
where: short stacking energy: -126.757
Base-Backbone interact. energy: 0.446
local terms energy: -118.040405
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -27.062
flat angles P-C4'-P energy: -17.852
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.209 (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: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -512.454880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.454880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.855433 (E_RNA)
where:
Base-Base interactions energy: -357.656
where: short stacking energy: -150.111
Base-Backbone interact. energy: -0.236
local terms energy: -154.963543
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -28.514
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -36.269
Dist. restrs. and SS energy: 0.401 (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: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -530.056821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.056821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.108267 (E_RNA)
where:
Base-Base interactions energy: -373.230
where: short stacking energy: -158.938
Base-Backbone interact. energy: 2.858
local terms energy: -159.736187
where:
bonds (distance) C4'-P energy: -30.488
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -41.663
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -532.751283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.751283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.846143 (E_RNA)
where:
Base-Base interactions energy: -382.315
where: short stacking energy: -158.014
Base-Backbone interact. energy: 1.431
local terms energy: -151.962313
where:
bonds (distance) C4'-P energy: -28.017
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -21.774
tors. eta vs tors. theta energy: -40.446
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -491.889034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.889034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.964563 (E_RNA)
where:
Base-Base interactions energy: -358.920
where: short stacking energy: -144.541
Base-Backbone interact. energy: 0.500
local terms energy: -133.544445
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.076 (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: 480
Temperature: 1.100000
Total energy: -468.731904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.731904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.944434 (E_RNA)
where:
Base-Base interactions energy: -333.335
where: short stacking energy: -126.482
Base-Backbone interact. energy: 0.899
local terms energy: -136.507917
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -29.874
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -29.573
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -471.738729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.738729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.813696 (E_RNA)
where:
Base-Base interactions energy: -337.061
where: short stacking energy: -128.016
Base-Backbone interact. energy: -1.095
local terms energy: -133.658027
where:
bonds (distance) C4'-P energy: -26.510
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -30.511
Dist. restrs. and SS energy: 0.075 (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: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -466.848516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.848516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.308821 (E_RNA)
where:
Base-Base interactions energy: -334.834
where: short stacking energy: -134.553
Base-Backbone interact. energy: 1.931
local terms energy: -134.406161
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -39.887
Dist. restrs. and SS energy: 0.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -433.020361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.020361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.242353 (E_RNA)
where:
Base-Base interactions energy: -302.706
where: short stacking energy: -116.586
Base-Backbone interact. energy: -0.253
local terms energy: -130.283151
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -30.400
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -29.866
Dist. restrs. and SS energy: 0.222 (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: 480
Temperature: 1.300000
Total energy: -437.085650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.085650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.091816 (E_RNA)
where:
Base-Base interactions energy: -311.240
where: short stacking energy: -120.053
Base-Backbone interact. energy: 1.949
local terms energy: -128.800598
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -28.083
Dist. restrs. and SS energy: 1.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -423.465434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.465434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.953493 (E_RNA)
where:
Base-Base interactions energy: -306.591
where: short stacking energy: -122.905
Base-Backbone interact. energy: -0.969
local terms energy: -116.393048
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -534.302082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.302082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.434030 (E_RNA)
where:
Base-Base interactions energy: -381.095
where: short stacking energy: -158.670
Base-Backbone interact. energy: -0.431
local terms energy: -152.908234
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -41.585
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -523.739344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.739344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.766337 (E_RNA)
where:
Base-Base interactions energy: -365.590
where: short stacking energy: -147.189
Base-Backbone interact. energy: -0.225
local terms energy: -157.951359
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -39.893
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -520.974937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.974937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.213508 (E_RNA)
where:
Base-Base interactions energy: -374.739
where: short stacking energy: -151.840
Base-Backbone interact. energy: -0.164
local terms energy: -146.310807
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -32.751
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -38.000
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -528.382139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.382139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.853178 (E_RNA)
where:
Base-Base interactions energy: -366.578
where: short stacking energy: -153.934
Base-Backbone interact. energy: -0.421
local terms energy: -161.854001
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -20.685
tors. eta vs tors. theta energy: -42.637
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -481.383431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.383431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.471644 (E_RNA)
where:
Base-Base interactions energy: -344.254
where: short stacking energy: -128.144
Base-Backbone interact. energy: -0.683
local terms energy: -136.534781
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -32.085
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -500.650882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.650882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.256517 (E_RNA)
where:
Base-Base interactions energy: -355.135
where: short stacking energy: -147.801
Base-Backbone interact. energy: -0.659
local terms energy: -145.462917
where:
bonds (distance) C4'-P energy: -23.952
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -31.502
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -41.187
Dist. restrs. and SS energy: 0.606 (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: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -479.406589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.406589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.892572 (E_RNA)
where:
Base-Base interactions energy: -334.383
where: short stacking energy: -128.830
Base-Backbone interact. energy: -0.199
local terms energy: -145.310549
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -38.631
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -464.518799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.518799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.759893 (E_RNA)
where:
Base-Base interactions energy: -327.308
where: short stacking energy: -124.385
Base-Backbone interact. energy: -0.757
local terms energy: -136.695638
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -37.532
Dist. restrs. and SS energy: 0.241 (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: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -435.693007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.693007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.238046 (E_RNA)
where:
Base-Base interactions energy: -315.251
where: short stacking energy: -120.586
Base-Backbone interact. energy: 0.689
local terms energy: -121.676246
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -29.188
Dist. restrs. and SS energy: 0.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -424.100187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.100187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.542250 (E_RNA)
where:
Base-Base interactions energy: -304.924
where: short stacking energy: -120.922
Base-Backbone interact. energy: -0.167
local terms energy: -119.451121
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -28.222
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -529.840695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.840695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.898428 (E_RNA)
where:
Base-Base interactions energy: -361.342
where: short stacking energy: -148.445
Base-Backbone interact. energy: -1.428
local terms energy: -167.128352
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -36.071
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -524.369475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.369475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.695075 (E_RNA)
where:
Base-Base interactions energy: -360.203
where: short stacking energy: -146.708
Base-Backbone interact. energy: 0.933
local terms energy: -165.424704
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -33.038
flat angles C4'-P-C4' energy: -31.920
flat angles P-C4'-P energy: -26.512
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -519.854837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.854837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.854837 (E_RNA)
where:
Base-Base interactions energy: -361.982
where: short stacking energy: -155.001
Base-Backbone interact. energy: -0.600
local terms energy: -157.272974
where:
bonds (distance) C4'-P energy: -29.322
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -36.426
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -39.754
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -505.761269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.761269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.234363 (E_RNA)
where:
Base-Base interactions energy: -358.948
where: short stacking energy: -144.229
Base-Backbone interact. energy: 2.336
local terms energy: -149.622090
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -28.327
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.473 (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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -500.704539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.704539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.890956 (E_RNA)
where:
Base-Base interactions energy: -355.303
where: short stacking energy: -150.533
Base-Backbone interact. energy: 0.120
local terms energy: -145.707892
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -44.313
Dist. restrs. and SS energy: 0.186 (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: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -473.773207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.773207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.968411 (E_RNA)
where:
Base-Base interactions energy: -340.568
where: short stacking energy: -129.826
Base-Backbone interact. energy: -1.549
local terms energy: -131.851964
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -26.871
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -491.333905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.333905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.432787 (E_RNA)
where:
Base-Base interactions energy: -343.278
where: short stacking energy: -136.933
Base-Backbone interact. energy: -0.164
local terms energy: -147.990796
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.099 (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: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -456.646948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.646948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.074629 (E_RNA)
where:
Base-Base interactions energy: -321.479
where: short stacking energy: -130.251
Base-Backbone interact. energy: -1.097
local terms energy: -134.498789
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -32.010
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: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -443.848319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.848319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.085453 (E_RNA)
where:
Base-Base interactions energy: -323.594
where: short stacking energy: -124.123
Base-Backbone interact. energy: 3.654
local terms energy: -124.145955
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -427.324547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.324547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.133559 (E_RNA)
where:
Base-Base interactions energy: -300.817
where: short stacking energy: -127.457
Base-Backbone interact. energy: 0.940
local terms energy: -128.256476
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -20.188
tors. eta vs tors. theta energy: -37.228
Dist. restrs. and SS energy: 0.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -536.497299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.497299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.757574 (E_RNA)
where:
Base-Base interactions energy: -377.650
where: short stacking energy: -144.374
Base-Backbone interact. energy: -0.884
local terms energy: -158.223906
where:
bonds (distance) C4'-P energy: -30.849
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -30.941
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -40.867
Dist. restrs. and SS energy: 0.260 (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: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -519.527540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.527540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.842338 (E_RNA)
where:
Base-Base interactions energy: -370.242
where: short stacking energy: -155.572
Base-Backbone interact. energy: -0.919
local terms energy: -148.681339
where:
bonds (distance) C4'-P energy: -29.772
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -34.193
flat angles P-C4'-P energy: -21.678
tors. eta vs tors. theta energy: -39.654
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -520.632351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.632351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.663640 (E_RNA)
where:
Base-Base interactions energy: -369.552
where: short stacking energy: -151.746
Base-Backbone interact. energy: 0.284
local terms energy: -151.395649
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -42.706
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -505.180965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.180965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.203733 (E_RNA)
where:
Base-Base interactions energy: -360.014
where: short stacking energy: -147.896
Base-Backbone interact. energy: 0.020
local terms energy: -145.210232
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.023 (S_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: 483
Temperature: 1.100000
Total energy: -488.015862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.015862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.137790 (E_RNA)
where:
Base-Base interactions energy: -344.871
where: short stacking energy: -139.948
Base-Backbone interact. energy: -0.542
local terms energy: -142.724881
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -32.979
flat angles C4'-P-C4' energy: -31.580
flat angles P-C4'-P energy: -20.699
tors. eta vs tors. theta energy: -34.682
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -482.838310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.838310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.238932 (E_RNA)
where:
Base-Base interactions energy: -334.380
where: short stacking energy: -138.058
Base-Backbone interact. energy: -1.873
local terms energy: -146.986358
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -474.391314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.391314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.680018 (E_RNA)
where:
Base-Base interactions energy: -338.670
where: short stacking energy: -130.469
Base-Backbone interact. energy: 0.186
local terms energy: -136.196419
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -35.297
Dist. restrs. and SS energy: 0.289 (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: 483
Temperature: 1.250000
Total energy: -477.952665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.952665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.238454 (E_RNA)
where:
Base-Base interactions energy: -342.320
where: short stacking energy: -131.996
Base-Backbone interact. energy: -0.564
local terms energy: -135.354684
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -34.826
Dist. restrs. and SS energy: 0.286 (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: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -453.759198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.759198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.014330 (E_RNA)
where:
Base-Base interactions energy: -334.622
where: short stacking energy: -122.342
Base-Backbone interact. energy: 2.102
local terms energy: -121.494557
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -33.084
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -435.182598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.182598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.222927 (E_RNA)
where:
Base-Base interactions energy: -309.980
where: short stacking energy: -120.366
Base-Backbone interact. energy: -0.432
local terms energy: -124.810528
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -27.250
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -537.005183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.005183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.097699 (E_RNA)
where:
Base-Base interactions energy: -376.295
where: short stacking energy: -146.110
Base-Backbone interact. energy: -0.824
local terms energy: -159.978471
where:
bonds (distance) C4'-P energy: -31.379
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -32.490
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -38.646
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -516.648179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.648179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.236900 (E_RNA)
where:
Base-Base interactions energy: -362.166
where: short stacking energy: -149.774
Base-Backbone interact. energy: -0.356
local terms energy: -154.715616
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -39.927
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: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -525.686559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.686559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.835147 (E_RNA)
where:
Base-Base interactions energy: -365.268
where: short stacking energy: -158.148
Base-Backbone interact. energy: 0.671
local terms energy: -161.238280
where:
bonds (distance) C4'-P energy: -29.958
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -46.778
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -500.838470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.838470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.913429 (E_RNA)
where:
Base-Base interactions energy: -348.956
where: short stacking energy: -144.330
Base-Backbone interact. energy: 0.373
local terms energy: -152.330606
where:
bonds (distance) C4'-P energy: -32.327
bonds (distance) P-C4' energy: -34.310
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -35.219
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -482.590717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.590717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.866383 (E_RNA)
where:
Base-Base interactions energy: -337.412
where: short stacking energy: -138.954
Base-Backbone interact. energy: -1.484
local terms energy: -143.970432
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -37.701
Dist. restrs. and SS energy: 0.276 (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: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -473.272805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.272805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.836418 (E_RNA)
where:
Base-Base interactions energy: -335.289
where: short stacking energy: -133.450
Base-Backbone interact. energy: 0.047
local terms energy: -138.594469
where:
bonds (distance) C4'-P energy: -28.453
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: -29.772
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: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -471.414912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.414912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.446161 (E_RNA)
where:
Base-Base interactions energy: -344.098
where: short stacking energy: -125.325
Base-Backbone interact. energy: 0.436
local terms energy: -127.784152
where:
bonds (distance) C4'-P energy: -23.699
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -29.966
Dist. restrs. and SS energy: 0.031 (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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -430.261667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.261667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.689341 (E_RNA)
where:
Base-Base interactions energy: -311.278
where: short stacking energy: -115.862
Base-Backbone interact. energy: 5.152
local terms energy: -124.562694
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -24.972
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: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -446.749073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.749073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.032278 (E_RNA)
where:
Base-Base interactions energy: -339.576
where: short stacking energy: -126.805
Base-Backbone interact. energy: 1.411
local terms energy: -108.868008
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -22.191
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 0.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -428.584240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.584240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.828394 (E_RNA)
where:
Base-Base interactions energy: -315.756
where: short stacking energy: -121.773
Base-Backbone interact. energy: -0.469
local terms energy: -112.603312
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -23.649
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.244 (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: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -545.993917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.993917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.245335 (E_RNA)
where:
Base-Base interactions energy: -382.657
where: short stacking energy: -160.658
Base-Backbone interact. energy: -0.715
local terms energy: -162.873887
where:
bonds (distance) C4'-P energy: -29.988
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -32.387
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -40.911
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -525.109418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.109418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.411183 (E_RNA)
where:
Base-Base interactions energy: -370.899
where: short stacking energy: -154.539
Base-Backbone interact. energy: 1.386
local terms energy: -155.898414
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -42.001
Dist. restrs. and SS energy: 0.302 (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: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -506.470361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.470361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.610553 (E_RNA)
where:
Base-Base interactions energy: -350.704
where: short stacking energy: -148.516
Base-Backbone interact. energy: -1.131
local terms energy: -154.775541
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -41.521
Dist. restrs. and SS energy: 0.140 (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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -503.632195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.632195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.711403 (E_RNA)
where:
Base-Base interactions energy: -358.697
where: short stacking energy: -134.978
Base-Backbone interact. energy: -0.803
local terms energy: -144.210903
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -24.287
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -39.445
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -475.813818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.813818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.019899 (E_RNA)
where:
Base-Base interactions energy: -335.612
where: short stacking energy: -136.495
Base-Backbone interact. energy: -0.460
local terms energy: -139.947749
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -35.842
Dist. restrs. and SS energy: 0.206 (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: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -479.723365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.723365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.920902 (E_RNA)
where:
Base-Base interactions energy: -328.124
where: short stacking energy: -137.592
Base-Backbone interact. energy: -0.152
local terms energy: -151.645596
where:
bonds (distance) C4'-P energy: -28.177
bonds (distance) P-C4' energy: -30.724
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -43.442
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -461.895033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.895033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.305005 (E_RNA)
where:
Base-Base interactions energy: -328.626
where: short stacking energy: -126.882
Base-Backbone interact. energy: -0.520
local terms energy: -133.158644
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -34.157
Dist. restrs. and SS energy: 0.410 (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: 485
Temperature: 1.250000
Total energy: -448.353423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.353423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.248276 (E_RNA)
where:
Base-Base interactions energy: -334.833
where: short stacking energy: -137.062
Base-Backbone interact. energy: 0.547
local terms energy: -114.961586
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -28.413
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -431.564932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.564932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.714589 (E_RNA)
where:
Base-Base interactions energy: -307.897
where: short stacking energy: -123.608
Base-Backbone interact. energy: -0.770
local terms energy: -123.047536
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -21.345
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -449.518563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.518563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.910817 (E_RNA)
where:
Base-Base interactions energy: -313.176
where: short stacking energy: -118.794
Base-Backbone interact. energy: -0.354
local terms energy: -136.380614
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -29.900
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -531.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.796900 (E_RNA)
where:
Base-Base interactions energy: -372.245
where: short stacking energy: -161.902
Base-Backbone interact. energy: 0.362
local terms energy: -159.913581
where:
bonds (distance) C4'-P energy: -31.100
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -31.438
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -46.675
Dist. restrs. and SS energy: 0.219 (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: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -525.735299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.735299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.886272 (E_RNA)
where:
Base-Base interactions energy: -369.752
where: short stacking energy: -140.635
Base-Backbone interact. energy: -2.034
local terms energy: -154.100073
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -22.222
tors. eta vs tors. theta energy: -35.559
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -518.482330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.482330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.016448 (E_RNA)
where:
Base-Base interactions energy: -370.652
where: short stacking energy: -151.907
Base-Backbone interact. energy: 0.616
local terms energy: -148.980302
where:
bonds (distance) C4'-P energy: -26.874
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -39.150
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: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -504.988521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.988521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.288319 (E_RNA)
where:
Base-Base interactions energy: -361.530
where: short stacking energy: -152.004
Base-Backbone interact. energy: 0.216
local terms energy: -143.974023
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -39.863
Dist. restrs. and SS energy: 0.300 (S_DIST_RNA)
chem. 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: -498.153155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.153155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.228726 (E_RNA)
where:
Base-Base interactions energy: -349.458
where: short stacking energy: -137.129
Base-Backbone interact. energy: 0.095
local terms energy: -148.866171
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -30.662
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -33.701
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -485.497566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.497566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.714721 (E_RNA)
where:
Base-Base interactions energy: -346.939
where: short stacking energy: -142.907
Base-Backbone interact. energy: 1.112
local terms energy: -139.887568
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -35.301
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -37.430
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -454.957878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.957878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.337339 (E_RNA)
where:
Base-Base interactions energy: -325.181
where: short stacking energy: -122.249
Base-Backbone interact. energy: 0.476
local terms energy: -130.632151
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -29.274
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 0.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -452.515288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.515288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.697578 (E_RNA)
where:
Base-Base interactions energy: -320.960
where: short stacking energy: -123.801
Base-Backbone interact. energy: -0.793
local terms energy: -130.944243
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -27.241
flat angles C4'-P-C4' energy: -28.014
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -29.236
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -437.253632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.253632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.035160 (E_RNA)
where:
Base-Base interactions energy: -307.712
where: short stacking energy: -123.521
Base-Backbone interact. energy: -0.278
local terms energy: -130.044972
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -33.848
Dist. restrs. and SS energy: 0.782 (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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -422.431248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.738833 (E_RNA)
where:
Base-Base interactions energy: -309.187
where: short stacking energy: -121.944
Base-Backbone interact. energy: 0.110
local terms energy: -113.661887
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -29.879
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -531.803739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.803739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.084732 (E_RNA)
where:
Base-Base interactions energy: -372.630
where: short stacking energy: -164.595
Base-Backbone interact. energy: 1.273
local terms energy: -160.727749
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -26.560
tors. eta vs tors. theta energy: -46.159
Dist. restrs. and SS energy: 0.281 (S_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: -532.855005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.855005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.936861 (E_RNA)
where:
Base-Base interactions energy: -380.334
where: short stacking energy: -143.561
Base-Backbone interact. energy: 1.137
local terms energy: -153.740011
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -42.196
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -529.839493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.839493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.102346 (E_RNA)
where:
Base-Base interactions energy: -372.503
where: short stacking energy: -153.911
Base-Backbone interact. energy: 1.760
local terms energy: -159.359144
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -44.614
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -490.046202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.046202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.222653 (E_RNA)
where:
Base-Base interactions energy: -339.139
where: short stacking energy: -141.687
Base-Backbone interact. energy: -3.157
local terms energy: -147.927112
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -31.868
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -474.232562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.232562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.246942 (E_RNA)
where:
Base-Base interactions energy: -335.993
where: short stacking energy: -125.882
Base-Backbone interact. energy: -0.925
local terms energy: -137.328825
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -24.619
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -32.130
Dist. restrs. and SS energy: 0.014 (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: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -497.665457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.665457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.235446 (E_RNA)
where:
Base-Base interactions energy: -349.167
where: short stacking energy: -140.878
Base-Backbone interact. energy: 0.381
local terms energy: -149.449225
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -28.860
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -39.966
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: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -450.006514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.006514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.310617 (E_RNA)
where:
Base-Base interactions energy: -314.728
where: short stacking energy: -131.494
Base-Backbone interact. energy: -1.169
local terms energy: -134.412884
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -445.725138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.725138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.941733 (E_RNA)
where:
Base-Base interactions energy: -315.645
where: short stacking energy: -130.017
Base-Backbone interact. energy: -0.544
local terms energy: -129.752211
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -33.399
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -440.439021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.439021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.775745 (E_RNA)
where:
Base-Base interactions energy: -318.584
where: short stacking energy: -124.734
Base-Backbone interact. energy: -1.523
local terms energy: -120.667877
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -30.176
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: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -434.028068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.028068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.920462 (E_RNA)
where:
Base-Base interactions energy: -305.042
where: short stacking energy: -121.445
Base-Backbone interact. energy: -0.276
local terms energy: -130.602229
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -31.177
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: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -533.257368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.257368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.453202 (E_RNA)
where:
Base-Base interactions energy: -373.929
where: short stacking energy: -158.524
Base-Backbone interact. energy: 0.299
local terms energy: -159.823861
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -42.855
Dist. restrs. and SS energy: 0.196 (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: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -517.781749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.781749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.340265 (E_RNA)
where:
Base-Base interactions energy: -360.344
where: short stacking energy: -142.857
Base-Backbone interact. energy: -1.586
local terms energy: -156.410182
where:
bonds (distance) C4'-P energy: -33.627
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -36.935
Dist. restrs. and SS energy: 0.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -521.097191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.097191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.253238 (E_RNA)
where:
Base-Base interactions energy: -364.518
where: short stacking energy: -156.804
Base-Backbone interact. energy: -0.767
local terms energy: -155.968326
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -43.637
Dist. restrs. and SS energy: 0.156 (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: 10
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -504.533473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.533473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.829704 (E_RNA)
where:
Base-Base interactions energy: -347.076
where: short stacking energy: -143.244
Base-Backbone interact. energy: -0.429
local terms energy: -157.324195
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -38.244
Dist. restrs. and SS energy: 0.296 (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: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -487.176266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.176266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.304483 (E_RNA)
where:
Base-Base interactions energy: -339.833
where: short stacking energy: -136.826
Base-Backbone interact. energy: 1.385
local terms energy: -148.857324
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -38.894
Dist. restrs. and SS energy: 0.128 (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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -468.269789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.269789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.376003 (E_RNA)
where:
Base-Base interactions energy: -334.807
where: short stacking energy: -140.528
Base-Backbone interact. energy: -0.343
local terms energy: -133.226001
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -33.878
Dist. restrs. and SS energy: 0.106 (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: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -475.518137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.518137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.052337 (E_RNA)
where:
Base-Base interactions energy: -336.436
where: short stacking energy: -134.537
Base-Backbone interact. energy: 0.596
local terms energy: -140.212457
where:
bonds (distance) C4'-P energy: -27.334
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -41.181
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: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -454.907125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.907125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.149636 (E_RNA)
where:
Base-Base interactions energy: -333.201
where: short stacking energy: -133.636
Base-Backbone interact. energy: 1.740
local terms energy: -123.688960
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -29.986
Dist. restrs. and SS energy: 0.243 (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: 488
Temperature: 1.300000
Total energy: -442.062546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.062546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.261179 (E_RNA)
where:
Base-Base interactions energy: -315.143
where: short stacking energy: -127.080
Base-Backbone interact. energy: -1.378
local terms energy: -125.740495
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -29.362
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -30.387
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -425.898343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.898343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.372217 (E_RNA)
where:
Base-Base interactions energy: -305.037
where: short stacking energy: -112.755
Base-Backbone interact. energy: 0.419
local terms energy: -121.754741
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -26.076
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -30.732
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -543.923990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.923990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.999215 (E_RNA)
where:
Base-Base interactions energy: -381.795
where: short stacking energy: -162.984
Base-Backbone interact. energy: -0.986
local terms energy: -161.218621
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -42.826
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -526.947035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.947035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.284515 (E_RNA)
where:
Base-Base interactions energy: -364.911
where: short stacking energy: -150.396
Base-Backbone interact. energy: 1.081
local terms energy: -163.454653
where:
bonds (distance) C4'-P energy: -30.990
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -44.871
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -516.811967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.811967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.051985 (E_RNA)
where:
Base-Base interactions energy: -370.897
where: short stacking energy: -137.335
Base-Backbone interact. energy: -0.981
local terms energy: -145.174201
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -32.658
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -39.066
Dist. restrs. and SS energy: 0.240 (S_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: 489
Temperature: 1.050000
Total energy: -501.634310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.634310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.916490 (E_RNA)
where:
Base-Base interactions energy: -356.823
where: short stacking energy: -149.686
Base-Backbone interact. energy: -0.133
local terms energy: -144.960184
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -29.393
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -41.145
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: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -478.889446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.889446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.596098 (E_RNA)
where:
Base-Base interactions energy: -334.307
where: short stacking energy: -128.718
Base-Backbone interact. energy: -0.626
local terms energy: -144.662897
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -35.090
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -37.683
Dist. restrs. and SS energy: 0.707 (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: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -455.818057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.818057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.194480 (E_RNA)
where:
Base-Base interactions energy: -332.817
where: short stacking energy: -137.017
Base-Backbone interact. energy: 0.558
local terms energy: -123.935126
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.376 (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: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -459.236220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.495374 (E_RNA)
where:
Base-Base interactions energy: -331.142
where: short stacking energy: -127.050
Base-Backbone interact. energy: -0.662
local terms energy: -127.691318
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -451.269049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.269049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.428519 (E_RNA)
where:
Base-Base interactions energy: -327.022
where: short stacking energy: -126.681
Base-Backbone interact. energy: -0.587
local terms energy: -123.820061
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -29.827
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -429.697493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.697493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.825020 (E_RNA)
where:
Base-Base interactions energy: -311.556
where: short stacking energy: -113.776
Base-Backbone interact. energy: -0.813
local terms energy: -117.456353
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -25.540
flat angles C4'-P-C4' energy: -23.902
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.128 (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: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -427.044110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.044110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.329636 (E_RNA)
where:
Base-Base interactions energy: -304.330
where: short stacking energy: -117.565
Base-Backbone interact. energy: -0.763
local terms energy: -126.236843
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -37.101
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: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -541.536296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.536296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.729577 (E_RNA)
where:
Base-Base interactions energy: -387.901
where: short stacking energy: -167.359
Base-Backbone interact. energy: -0.612
local terms energy: -153.216000
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -29.839
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -44.660
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -523.281017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.281017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.381224 (E_RNA)
where:
Base-Base interactions energy: -368.041
where: short stacking energy: -150.057
Base-Backbone interact. energy: 0.507
local terms energy: -155.847439
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -32.836
flat angles C4'-P-C4' energy: -35.834
flat angles P-C4'-P energy: -19.759
tors. eta vs tors. theta energy: -38.048
Dist. restrs. and SS energy: 0.100 (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: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -522.675209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.675209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.752997 (E_RNA)
where:
Base-Base interactions energy: -368.237
where: short stacking energy: -141.050
Base-Backbone interact. energy: -2.399
local terms energy: -152.117332
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -35.697
Dist. restrs. and SS energy: 0.078 (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: 490
Temperature: 1.050000
Total energy: -499.049756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.049756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.459074 (E_RNA)
where:
Base-Base interactions energy: -360.584
where: short stacking energy: -129.144
Base-Backbone interact. energy: 1.966
local terms energy: -140.840500
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -33.691
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: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -482.653398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.653398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.910847 (E_RNA)
where:
Base-Base interactions energy: -351.867
where: short stacking energy: -143.334
Base-Backbone interact. energy: -1.079
local terms energy: -129.964851
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -32.001
Dist. restrs. and SS energy: 0.257 (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: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -492.264896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.264896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.589288 (E_RNA)
where:
Base-Base interactions energy: -340.422
where: short stacking energy: -136.217
Base-Backbone interact. energy: -0.478
local terms energy: -151.689266
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -41.092
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -463.806816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.806816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.024573 (E_RNA)
where:
Base-Base interactions energy: -324.801
where: short stacking energy: -129.454
Base-Backbone interact. energy: -0.569
local terms energy: -138.654313
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -30.693
flat angles C4'-P-C4' energy: -30.340
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -32.599
Dist. restrs. and SS energy: 0.218 (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: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -451.652346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.652346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.939379 (E_RNA)
where:
Base-Base interactions energy: -334.697
where: short stacking energy: -135.567
Base-Backbone interact. energy: -1.295
local terms energy: -115.948019
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -31.324
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -442.662598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.662598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.257647 (E_RNA)
where:
Base-Base interactions energy: -316.013
where: short stacking energy: -130.189
Base-Backbone interact. energy: -1.063
local terms energy: -126.181598
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -28.749
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: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -408.341806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.341806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.693695 (E_RNA)
where:
Base-Base interactions energy: -288.869
where: short stacking energy: -120.584
Base-Backbone interact. energy: 1.216
local terms energy: -121.041383
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -538.850735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.850735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.886866 (E_RNA)
where:
Base-Base interactions energy: -388.475
where: short stacking energy: -158.685
Base-Backbone interact. energy: 1.169
local terms energy: -151.581409
where:
bonds (distance) C4'-P energy: -26.507
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.036 (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: 491
Temperature: 0.950000
Total energy: -511.294685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.294685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.512117 (E_RNA)
where:
Base-Base interactions energy: -361.880
where: short stacking energy: -140.258
Base-Backbone interact. energy: -1.054
local terms energy: -148.578240
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -38.285
Dist. restrs. and SS energy: 0.217 (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: 491
Temperature: 1.000000
Total energy: -504.227185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.227185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.530143 (E_RNA)
where:
Base-Base interactions energy: -352.403
where: short stacking energy: -146.483
Base-Backbone interact. energy: 1.293
local terms energy: -153.420235
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -31.912
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -44.884
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -489.271180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.271180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.445836 (E_RNA)
where:
Base-Base interactions energy: -348.048
where: short stacking energy: -133.579
Base-Backbone interact. energy: -0.385
local terms energy: -141.012839
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -31.414
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -33.473
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -494.421603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.421603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.988774 (E_RNA)
where:
Base-Base interactions energy: -345.511
where: short stacking energy: -140.715
Base-Backbone interact. energy: 1.062
local terms energy: -150.539461
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -490.317289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.317289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.347709 (E_RNA)
where:
Base-Base interactions energy: -347.241
where: short stacking energy: -141.433
Base-Backbone interact. energy: -0.725
local terms energy: -142.381573
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -31.271
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -37.668
Dist. restrs. and SS energy: 0.030 (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: 491
Temperature: 1.200000
Total energy: -475.086684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.086684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.403883 (E_RNA)
where:
Base-Base interactions energy: -338.141
where: short stacking energy: -137.065
Base-Backbone interact. energy: 0.333
local terms energy: -137.595999
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -35.939
Dist. restrs. and SS energy: 0.317 (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: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -460.511816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.511816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.578784 (E_RNA)
where:
Base-Base interactions energy: -325.400
where: short stacking energy: -132.483
Base-Backbone interact. energy: -0.306
local terms energy: -134.872802
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -25.247
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -442.739518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.739518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.268038 (E_RNA)
where:
Base-Base interactions energy: -317.505
where: short stacking energy: -124.555
Base-Backbone interact. energy: 1.776
local terms energy: -127.539148
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -36.524
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: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -395.029972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.029972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.588484 (E_RNA)
where:
Base-Base interactions energy: -280.631
where: short stacking energy: -109.363
Base-Backbone interact. energy: -0.115
local terms energy: -114.842631
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.559 (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: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -541.937147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.937147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.980055 (E_RNA)
where:
Base-Base interactions energy: -381.829
where: short stacking energy: -165.957
Base-Backbone interact. energy: 0.627
local terms energy: -160.778353
where:
bonds (distance) C4'-P energy: -27.840
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -28.832
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -524.038616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.038616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.527907 (E_RNA)
where:
Base-Base interactions energy: -375.307
where: short stacking energy: -139.865
Base-Backbone interact. energy: -1.805
local terms energy: -147.416531
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -26.430
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -511.595816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.595816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.805260 (E_RNA)
where:
Base-Base interactions energy: -367.754
where: short stacking energy: -146.484
Base-Backbone interact. energy: -0.669
local terms energy: -143.382459
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.209 (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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -491.316897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.316897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.823456 (E_RNA)
where:
Base-Base interactions energy: -347.331
where: short stacking energy: -147.772
Base-Backbone interact. energy: 0.245
local terms energy: -144.737767
where:
bonds (distance) C4'-P energy: -30.426
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -37.809
Dist. restrs. and SS energy: 0.507 (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: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -486.745893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.745893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.846041 (E_RNA)
where:
Base-Base interactions energy: -340.939
where: short stacking energy: -143.804
Base-Backbone interact. energy: -0.739
local terms energy: -145.167590
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -33.321
flat angles P-C4'-P energy: -18.190
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -487.448457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.448457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.510259 (E_RNA)
where:
Base-Base interactions energy: -339.256
where: short stacking energy: -134.016
Base-Backbone interact. energy: -0.007
local terms energy: -148.246679
where:
bonds (distance) C4'-P energy: -24.942
bonds (distance) P-C4' energy: -29.808
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -38.194
Dist. restrs. and SS energy: 0.062 (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: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -479.807061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.807061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.888088 (E_RNA)
where:
Base-Base interactions energy: -337.346
where: short stacking energy: -137.776
Base-Backbone interact. energy: -0.402
local terms energy: -142.140027
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -40.320
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -450.389377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.389377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.828211 (E_RNA)
where:
Base-Base interactions energy: -320.446
where: short stacking energy: -128.138
Base-Backbone interact. energy: -0.737
local terms energy: -129.645959
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -26.939
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -29.671
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -424.878298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.878298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.954411 (E_RNA)
where:
Base-Base interactions energy: -310.395
where: short stacking energy: -133.496
Base-Backbone interact. energy: -0.408
local terms energy: -114.151250
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -26.127
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -442.464555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.464555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.704317 (E_RNA)
where:
Base-Base interactions energy: -318.043
where: short stacking energy: -122.426
Base-Backbone interact. energy: -0.697
local terms energy: -123.964559
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -31.541
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.240 (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: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -540.917387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.917387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.101981 (E_RNA)
where:
Base-Base interactions energy: -377.519
where: short stacking energy: -163.709
Base-Backbone interact. energy: 1.134
local terms energy: -164.717273
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -37.148
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -43.351
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -522.083556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.394936 (E_RNA)
where:
Base-Base interactions energy: -367.362
where: short stacking energy: -151.126
Base-Backbone interact. energy: -0.437
local terms energy: -154.595641
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.311 (S_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: 493
Temperature: 1.000000
Total energy: -507.560329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.560329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.561338 (E_RNA)
where:
Base-Base interactions energy: -353.634
where: short stacking energy: -136.320
Base-Backbone interact. energy: -0.553
local terms energy: -153.374381
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -35.886
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -511.159081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.159081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.269263 (E_RNA)
where:
Base-Base interactions energy: -355.027
where: short stacking energy: -143.387
Base-Backbone interact. energy: -0.009
local terms energy: -156.233293
where:
bonds (distance) C4'-P energy: -30.757
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -38.188
Dist. restrs. and SS energy: 0.110 (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: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -501.667955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.667955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.867224 (E_RNA)
where:
Base-Base interactions energy: -361.484
where: short stacking energy: -145.590
Base-Backbone interact. energy: -0.512
local terms energy: -139.871445
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -21.639
flat angles C4'-P-C4' energy: -29.802
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -35.366
Dist. restrs. and SS energy: 0.199 (S_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: 493
Temperature: 1.150000
Total energy: -479.829512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.829512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.035775 (E_RNA)
where:
Base-Base interactions energy: -345.695
where: short stacking energy: -129.214
Base-Backbone interact. energy: -0.382
local terms energy: -133.959164
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -36.392
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -471.134953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.134953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.410809 (E_RNA)
where:
Base-Base interactions energy: -340.123
where: short stacking energy: -129.175
Base-Backbone interact. energy: -0.533
local terms energy: -130.755358
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -35.052
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -437.549578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.549578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.492651 (E_RNA)
where:
Base-Base interactions energy: -312.779
where: short stacking energy: -121.429
Base-Backbone interact. energy: -0.069
local terms energy: -125.644973
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -28.742
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: 9, replica: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -441.644155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.644155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.366852 (E_RNA)
where:
Base-Base interactions energy: -319.100
where: short stacking energy: -134.250
Base-Backbone interact. energy: -0.389
local terms energy: -122.877844
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -27.270
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -33.098
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: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -431.776036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.776036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.221391 (E_RNA)
where:
Base-Base interactions energy: -322.641
where: short stacking energy: -126.803
Base-Backbone interact. energy: -0.366
local terms energy: -109.214728
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -525.698119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.698119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.777388 (E_RNA)
where:
Base-Base interactions energy: -368.176
where: short stacking energy: -146.379
Base-Backbone interact. energy: -0.166
local terms energy: -157.435098
where:
bonds (distance) C4'-P energy: -35.021
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -38.379
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -527.815413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.815413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.940011 (E_RNA)
where:
Base-Base interactions energy: -380.696
where: short stacking energy: -154.706
Base-Backbone interact. energy: 0.259
local terms energy: -147.503925
where:
bonds (distance) C4'-P energy: -31.499
bonds (distance) P-C4' energy: -26.390
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -40.226
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -524.233486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.233486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.563709 (E_RNA)
where:
Base-Base interactions energy: -370.520
where: short stacking energy: -151.964
Base-Backbone interact. energy: 0.297
local terms energy: -154.340783
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -32.152
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -505.431651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.431651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.610224 (E_RNA)
where:
Base-Base interactions energy: -359.066
where: short stacking energy: -139.877
Base-Backbone interact. energy: -0.291
local terms energy: -146.253385
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -30.662
flat angles P-C4'-P energy: -16.691
tors. eta vs tors. theta energy: -37.180
Dist. restrs. and SS energy: 0.179 (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: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -481.705059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.705059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.933765 (E_RNA)
where:
Base-Base interactions energy: -345.955
where: short stacking energy: -134.818
Base-Backbone interact. energy: -0.501
local terms energy: -135.478544
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -29.768
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -33.178
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -482.462061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.462061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.640561 (E_RNA)
where:
Base-Base interactions energy: -338.523
where: short stacking energy: -135.835
Base-Backbone interact. energy: -0.664
local terms energy: -143.453693
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -31.795
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -454.122449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.122449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.265519 (E_RNA)
where:
Base-Base interactions energy: -317.301
where: short stacking energy: -125.931
Base-Backbone interact. energy: -0.260
local terms energy: -136.704443
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -27.956
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -34.329
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -455.422435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.422435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.630507 (E_RNA)
where:
Base-Base interactions energy: -322.378
where: short stacking energy: -129.366
Base-Backbone interact. energy: 0.187
local terms energy: -133.439537
where:
bonds (distance) C4'-P energy: -24.362
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -34.064
Dist. restrs. and SS energy: 0.208 (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: 494
Temperature: 1.300000
Total energy: -428.743027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.743027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.024153 (E_RNA)
where:
Base-Base interactions energy: -299.230
where: short stacking energy: -115.049
Base-Backbone interact. energy: -0.593
local terms energy: -129.201288
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -31.157
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -32.087
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -407.002310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.002310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.114330 (E_RNA)
where:
Base-Base interactions energy: -292.682
where: short stacking energy: -107.485
Base-Backbone interact. energy: -0.311
local terms energy: -114.121364
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -25.753
flat angles C4'-P-C4' energy: -27.245
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -539.696176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.696176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.887631 (E_RNA)
where:
Base-Base interactions energy: -379.902
where: short stacking energy: -159.404
Base-Backbone interact. energy: -0.451
local terms energy: -159.534585
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -40.962
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -535.298209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.298209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.624470 (E_RNA)
where:
Base-Base interactions energy: -386.269
where: short stacking energy: -156.112
Base-Backbone interact. energy: 0.319
local terms energy: -149.674654
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -43.030
Dist. restrs. and SS energy: 0.326 (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: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -527.418579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.418579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.446700 (E_RNA)
where:
Base-Base interactions energy: -371.461
where: short stacking energy: -157.703
Base-Backbone interact. energy: 0.176
local terms energy: -156.162267
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -35.231
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -42.485
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -508.795229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.795229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.855270 (E_RNA)
where:
Base-Base interactions energy: -363.782
where: short stacking energy: -148.995
Base-Backbone interact. energy: -0.509
local terms energy: -144.564278
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -32.494
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -36.788
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -486.013184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.013184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.136950 (E_RNA)
where:
Base-Base interactions energy: -343.811
where: short stacking energy: -141.042
Base-Backbone interact. energy: 1.051
local terms energy: -143.376368
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -25.875
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.124 (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: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -448.716111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.716111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.774581 (E_RNA)
where:
Base-Base interactions energy: -320.050
where: short stacking energy: -134.411
Base-Backbone interact. energy: -0.623
local terms energy: -128.101148
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -32.426
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -35.636
Dist. restrs. and SS energy: 0.058 (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: 495
Temperature: 1.200000
Total energy: -478.604534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.604534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.692908 (E_RNA)
where:
Base-Base interactions energy: -332.388
where: short stacking energy: -142.713
Base-Backbone interact. energy: -0.376
local terms energy: -145.928939
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -27.680
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -37.545
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -442.324722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.324722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.738839 (E_RNA)
where:
Base-Base interactions energy: -312.119
where: short stacking energy: -112.238
Base-Backbone interact. energy: -0.641
local terms energy: -129.979423
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -33.266
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -29.996
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -463.712457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.712457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.814658 (E_RNA)
where:
Base-Base interactions energy: -343.768
where: short stacking energy: -142.064
Base-Backbone interact. energy: 0.697
local terms energy: -120.743246
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -28.045
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -34.321
Dist. restrs. and SS energy: 0.102 (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: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -435.535555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.535555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.351545 (E_RNA)
where:
Base-Base interactions energy: -320.581
where: short stacking energy: -125.388
Base-Backbone interact. energy: -0.335
local terms energy: -115.435329
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -31.031
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -537.467110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.467110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.806985 (E_RNA)
where:
Base-Base interactions energy: -377.516
where: short stacking energy: -152.284
Base-Backbone interact. energy: 0.237
local terms energy: -160.527755
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -31.825
flat angles P-C4'-P energy: -24.859
tors. eta vs tors. theta energy: -39.968
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -529.913144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.913144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.110060 (E_RNA)
where:
Base-Base interactions energy: -369.210
where: short stacking energy: -157.384
Base-Backbone interact. energy: 0.179
local terms energy: -161.078503
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -32.529
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -41.950
Dist. restrs. and SS energy: 0.197 (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: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -522.366385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.366385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.421829 (E_RNA)
where:
Base-Base interactions energy: -365.950
where: short stacking energy: -156.391
Base-Backbone interact. energy: -0.040
local terms energy: -156.431738
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.055 (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: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -497.227738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.227738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.627531 (E_RNA)
where:
Base-Base interactions energy: -363.031
where: short stacking energy: -137.173
Base-Backbone interact. energy: -0.537
local terms energy: -134.060069
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -34.889
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -463.282254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.282254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.877571 (E_RNA)
where:
Base-Base interactions energy: -319.250
where: short stacking energy: -132.510
Base-Backbone interact. energy: -0.837
local terms energy: -143.790367
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -37.976
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: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -474.800912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.800912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.856898 (E_RNA)
where:
Base-Base interactions energy: -342.016
where: short stacking energy: -142.323
Base-Backbone interact. energy: 0.636
local terms energy: -133.477113
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -37.948
Dist. restrs. and SS energy: 0.056 (S_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: 496
Temperature: 1.200000
Total energy: -477.308875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.308875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.921825 (E_RNA)
where:
Base-Base interactions energy: -336.607
where: short stacking energy: -135.873
Base-Backbone interact. energy: -1.016
local terms energy: -140.299131
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -27.356
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -447.007632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.007632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.199544 (E_RNA)
where:
Base-Base interactions energy: -316.520
where: short stacking energy: -119.302
Base-Backbone interact. energy: -0.791
local terms energy: -129.888932
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.192 (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: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -462.598149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.598149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.106277 (E_RNA)
where:
Base-Base interactions energy: -325.326
where: short stacking energy: -144.471
Base-Backbone interact. energy: 1.784
local terms energy: -139.564728
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.508 (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: 496
Temperature: 1.350000
Total energy: -432.518036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.518036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.609977 (E_RNA)
where:
Base-Base interactions energy: -319.690
where: short stacking energy: -123.400
Base-Backbone interact. energy: -0.672
local terms energy: -112.247365
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -26.956
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -30.241
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -528.781763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.781763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.041579 (E_RNA)
where:
Base-Base interactions energy: -376.290
where: short stacking energy: -152.154
Base-Backbone interact. energy: -0.136
local terms energy: -152.616033
where:
bonds (distance) C4'-P energy: -26.668
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.260 (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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -522.897986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.897986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.033934 (E_RNA)
where:
Base-Base interactions energy: -370.754
where: short stacking energy: -157.376
Base-Backbone interact. energy: 0.458
local terms energy: -152.738018
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -41.091
Dist. restrs. and SS energy: 0.136 (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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -513.934945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.934945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.093804 (E_RNA)
where:
Base-Base interactions energy: -368.204
where: short stacking energy: -147.658
Base-Backbone interact. energy: 0.384
local terms energy: -146.274291
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -41.613
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -511.381954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.381954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.688894 (E_RNA)
where:
Base-Base interactions energy: -370.566
where: short stacking energy: -147.077
Base-Backbone interact. energy: -1.023
local terms energy: -140.100415
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -37.358
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -470.416047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.416047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.844970 (E_RNA)
where:
Base-Base interactions energy: -336.988
where: short stacking energy: -143.066
Base-Backbone interact. energy: -1.378
local terms energy: -132.479180
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -37.332
Dist. restrs. and SS energy: 0.429 (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: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -474.907865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.907865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.461312 (E_RNA)
where:
Base-Base interactions energy: -329.392
where: short stacking energy: -135.603
Base-Backbone interact. energy: -0.451
local terms energy: -145.618917
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -35.822
Dist. restrs. and SS energy: 0.553 (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: 497
Temperature: 1.200000
Total energy: -455.327526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.327526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.678349 (E_RNA)
where:
Base-Base interactions energy: -325.294
where: short stacking energy: -125.843
Base-Backbone interact. energy: 0.143
local terms energy: -130.527626
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -463.336899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.336899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.230853 (E_RNA)
where:
Base-Base interactions energy: -324.154
where: short stacking energy: -122.816
Base-Backbone interact. energy: -1.042
local terms energy: -139.035190
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -32.273
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -451.904327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.904327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.576477 (E_RNA)
where:
Base-Base interactions energy: -326.744
where: short stacking energy: -127.062
Base-Backbone interact. energy: 0.264
local terms energy: -126.096620
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -31.006
Dist. restrs. and SS energy: 0.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -440.902075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.902075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.107503 (E_RNA)
where:
Base-Base interactions energy: -314.173
where: short stacking energy: -116.613
Base-Backbone interact. energy: -0.125
local terms energy: -126.808837
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -31.352
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -31.502
Dist. restrs. and SS energy: 0.205 (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: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -534.128614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.128614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.392129 (E_RNA)
where:
Base-Base interactions energy: -375.365
where: short stacking energy: -156.925
Base-Backbone interact. energy: -0.417
local terms energy: -158.609652
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -37.543
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -531.084995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.084995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.498398 (E_RNA)
where:
Base-Base interactions energy: -372.231
where: short stacking energy: -158.442
Base-Backbone interact. energy: 0.176
local terms energy: -159.444157
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -28.542
flat angles C4'-P-C4' energy: -35.533
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -41.401
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -509.150587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.150587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.221413 (E_RNA)
where:
Base-Base interactions energy: -357.541
where: short stacking energy: -146.032
Base-Backbone interact. energy: -0.438
local terms energy: -151.242790
where:
bonds (distance) C4'-P energy: -25.569
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -32.501
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -36.823
Dist. restrs. and SS energy: 0.071 (S_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: 498
Temperature: 1.050000
Total energy: -495.923985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.923985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.231312 (E_RNA)
where:
Base-Base interactions energy: -350.920
where: short stacking energy: -141.640
Base-Backbone interact. energy: 0.998
local terms energy: -146.309199
where:
bonds (distance) C4'-P energy: -32.499
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -38.298
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -477.422544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.422544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.557249 (E_RNA)
where:
Base-Base interactions energy: -343.228
where: short stacking energy: -138.957
Base-Backbone interact. energy: 0.115
local terms energy: -134.444127
where:
bonds (distance) C4'-P energy: -25.530
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -35.274
Dist. restrs. and SS energy: 0.135 (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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -453.851243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.851243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.123792 (E_RNA)
where:
Base-Base interactions energy: -327.439
where: short stacking energy: -125.900
Base-Backbone interact. energy: -1.364
local terms energy: -125.320321
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -18.766
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -459.663651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.663651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.771901 (E_RNA)
where:
Base-Base interactions energy: -330.898
where: short stacking energy: -122.410
Base-Backbone interact. energy: -0.587
local terms energy: -128.286682
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -439.700489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.700489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.365598 (E_RNA)
where:
Base-Base interactions energy: -310.505
where: short stacking energy: -116.643
Base-Backbone interact. energy: -0.769
local terms energy: -129.091849
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -23.032
tors. eta vs tors. theta energy: -30.381
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: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -453.496270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.496270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.335323 (E_RNA)
where:
Base-Base interactions energy: -318.679
where: short stacking energy: -122.989
Base-Backbone interact. energy: 0.158
local terms energy: -135.814742
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -33.070
Dist. restrs. and SS energy: 0.839 (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: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -445.468097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.468097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.679985 (E_RNA)
where:
Base-Base interactions energy: -320.684
where: short stacking energy: -121.605
Base-Backbone interact. energy: -0.850
local terms energy: -124.145309
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -26.203
Dist. restrs. and SS energy: 0.212 (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: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -535.101182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.101182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.454152 (E_RNA)
where:
Base-Base interactions energy: -377.516
where: short stacking energy: -150.012
Base-Backbone interact. energy: 0.046
local terms energy: -157.984026
where:
bonds (distance) C4'-P energy: -26.149
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -40.042
Dist. restrs. and SS energy: 0.353 (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: 499
Temperature: 0.950000
Total energy: -529.784572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.784572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.914812 (E_RNA)
where:
Base-Base interactions energy: -371.754
where: short stacking energy: -158.008
Base-Backbone interact. energy: 0.204
local terms energy: -158.364358
where:
bonds (distance) C4'-P energy: -32.272
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -25.170
tors. eta vs tors. theta energy: -41.263
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -501.761329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.761329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.819276 (E_RNA)
where:
Base-Base interactions energy: -348.089
where: short stacking energy: -140.270
Base-Backbone interact. energy: -0.654
local terms energy: -153.076430
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -35.860
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -495.673380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.673380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.080656 (E_RNA)
where:
Base-Base interactions energy: -342.632
where: short stacking energy: -137.817
Base-Backbone interact. energy: 2.350
local terms energy: -155.799431
where:
bonds (distance) C4'-P energy: -31.280
bonds (distance) P-C4' energy: -31.760
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -36.054
Dist. restrs. and SS energy: 0.407 (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: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -473.776088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.776088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.094406 (E_RNA)
where:
Base-Base interactions energy: -331.621
where: short stacking energy: -137.046
Base-Backbone interact. energy: -0.553
local terms energy: -141.920064
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -36.722
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -467.247754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.247754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.825083 (E_RNA)
where:
Base-Base interactions energy: -323.807
where: short stacking energy: -130.210
Base-Backbone interact. energy: -1.120
local terms energy: -142.897996
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: -40.159
Dist. restrs. and SS energy: 0.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -477.682146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.682146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.173508 (E_RNA)
where:
Base-Base interactions energy: -329.663
where: short stacking energy: -120.675
Base-Backbone interact. energy: -0.721
local terms energy: -147.789613
where:
bonds (distance) C4'-P energy: -29.113
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -34.822
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -447.333780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.333780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.256992 (E_RNA)
where:
Base-Base interactions energy: -316.674
where: short stacking energy: -121.530
Base-Backbone interact. energy: -0.387
local terms energy: -131.195988
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -32.743
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: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -428.275376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.275376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.903800 (E_RNA)
where:
Base-Base interactions energy: -303.933
where: short stacking energy: -120.441
Base-Backbone interact. energy: -0.625
local terms energy: -124.345760
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -32.500
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -436.406578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.406578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.637823 (E_RNA)
where:
Base-Base interactions energy: -310.270
where: short stacking energy: -111.081
Base-Backbone interact. energy: -0.305
local terms energy: -126.062967
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -24.818
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -23.512
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -530.027029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.027029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.038081 (E_RNA)
where:
Base-Base interactions energy: -381.282
where: short stacking energy: -157.311
Base-Backbone interact. energy: -0.725
local terms energy: -148.031289
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -18.429
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.011 (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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -522.939865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.939865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.003011 (E_RNA)
where:
Base-Base interactions energy: -361.246
where: short stacking energy: -143.744
Base-Backbone interact. energy: 0.004
local terms energy: -161.760694
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -40.028
Dist. restrs. and SS energy: 0.063 (S_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: 500
Temperature: 1.000000
Total energy: -510.905148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.905148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.480219 (E_RNA)
where:
Base-Base interactions energy: -362.857
where: short stacking energy: -139.476
Base-Backbone interact. energy: 0.301
local terms energy: -148.923778
where:
bonds (distance) C4'-P energy: -31.599
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -35.432
Dist. restrs. and SS energy: 0.575 (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: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -497.232953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.232953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.424699 (E_RNA)
where:
Base-Base interactions energy: -343.489
where: short stacking energy: -144.328
Base-Backbone interact. energy: -0.250
local terms energy: -153.685949
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -39.146
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -498.752342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.752342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.134192 (E_RNA)
where:
Base-Base interactions energy: -356.241
where: short stacking energy: -147.306
Base-Backbone interact. energy: -0.415
local terms energy: -142.477975
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -38.479
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -468.528552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.528552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.601739 (E_RNA)
where:
Base-Base interactions energy: -329.547
where: short stacking energy: -134.215
Base-Backbone interact. energy: -0.018
local terms energy: -139.036554
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -34.312
Dist. restrs. and SS energy: 0.073 (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: 500
Temperature: 1.200000
Total energy: -477.951791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.951791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.105389 (E_RNA)
where:
Base-Base interactions energy: -329.086
where: short stacking energy: -132.458
Base-Backbone interact. energy: -0.738
local terms energy: -148.281512
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -33.945
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -433.481874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.481874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.663836 (E_RNA)
where:
Base-Base interactions energy: -308.712
where: short stacking energy: -114.888
Base-Backbone interact. energy: -0.657
local terms energy: -124.295113
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -450.303911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.303911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.786444 (E_RNA)
where:
Base-Base interactions energy: -314.364
where: short stacking energy: -123.622
Base-Backbone interact. energy: 1.353
local terms energy: -137.775182
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -32.539
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: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -405.925396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.925396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.341448 (E_RNA)
where:
Base-Base interactions energy: -296.225
where: short stacking energy: -115.478
Base-Backbone interact. energy: -0.655
local terms energy: -109.461495
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -24.454
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -536.868119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.868119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.968444 (E_RNA)
where:
Base-Base interactions energy: -385.270
where: short stacking energy: -159.256
Base-Backbone interact. energy: -0.857
local terms energy: -150.841510
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -41.670
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -529.844420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.844420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.300479 (E_RNA)
where:
Base-Base interactions energy: -371.322
where: short stacking energy: -156.603
Base-Backbone interact. energy: 0.423
local terms energy: -159.402055
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -524.060008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.060008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.318140 (E_RNA)
where:
Base-Base interactions energy: -376.108
where: short stacking energy: -161.578
Base-Backbone interact. energy: 0.791
local terms energy: -149.000389
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -45.191
Dist. restrs. and SS energy: 0.258 (S_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: 501
Temperature: 1.050000
Total energy: -494.453135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.453135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.494868 (E_RNA)
where:
Base-Base interactions energy: -356.711
where: short stacking energy: -132.861
Base-Backbone interact. energy: 0.013
local terms energy: -137.796796
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -31.686
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -37.316
Dist. restrs. and SS energy: 0.042 (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: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -480.322639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.322639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.544290 (E_RNA)
where:
Base-Base interactions energy: -351.398
where: short stacking energy: -149.034
Base-Backbone interact. energy: -1.119
local terms energy: -128.028038
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -31.010
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -35.947
Dist. restrs. and SS energy: 0.222 (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: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -486.920251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.920251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.322150 (E_RNA)
where:
Base-Base interactions energy: -345.355
where: short stacking energy: -140.870
Base-Backbone interact. energy: 1.250
local terms energy: -143.216782
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -29.797
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -34.376
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -463.589711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.589711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.726169 (E_RNA)
where:
Base-Base interactions energy: -327.531
where: short stacking energy: -135.987
Base-Backbone interact. energy: -1.207
local terms energy: -134.988273
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.136 (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: 501
Temperature: 1.250000
Total energy: -448.541267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.541267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.058460 (E_RNA)
where:
Base-Base interactions energy: -324.213
where: short stacking energy: -135.601
Base-Backbone interact. energy: 2.927
local terms energy: -127.772942
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -28.568
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -453.874155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.874155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.286922 (E_RNA)
where:
Base-Base interactions energy: -314.908
where: short stacking energy: -114.473
Base-Backbone interact. energy: -0.778
local terms energy: -138.601142
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -29.237
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -408.956511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.956511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.074799 (E_RNA)
where:
Base-Base interactions energy: -301.772
where: short stacking energy: -114.807
Base-Backbone interact. energy: -0.784
local terms energy: -106.518875
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 24583828
moves confirmed later: 28038857
all moves confirmed: 52622685
percent of confirmed moves: 6.577836
current total energy: -513.099269
recalc. total energy: -513.099269
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 22850928
moves confirmed later: 25632470
all moves confirmed: 48483398
percent of confirmed moves: 6.060425
current total energy: -492.053259
recalc. total energy: -492.053259
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 24652736
moves confirmed later: 28038156
all moves confirmed: 52690892
percent of confirmed moves: 6.586361
current total energy: -461.098975
recalc. total energy: -461.098975
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 22515218
moves confirmed later: 25083133
all moves confirmed: 47598351
percent of confirmed moves: 5.949794
current total energy: -471.093318
recalc. total energy: -471.093318
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 24860025
moves confirmed later: 27984194
all moves confirmed: 52844219
percent of confirmed moves: 6.605527
current total energy: -427.406881
recalc. total energy: -427.406881
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 23141936
moves confirmed later: 26088242
all moves confirmed: 49230178
percent of confirmed moves: 6.153772
current total energy: -445.935421
recalc. total energy: -445.935421
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24011754
moves confirmed later: 26894615
all moves confirmed: 50906369
percent of confirmed moves: 6.363296
current total energy: -401.114466
recalc. total energy: -401.114466
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 23142645
moves confirmed later: 26029911
all moves confirmed: 49172556
percent of confirmed moves: 6.146570
current total energy: -392.304513
recalc. total energy: -392.304513
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 22792460
moves confirmed later: 25527604
all moves confirmed: 48320064
percent of confirmed moves: 6.040008
current total energy: -400.295825
recalc. total energy: -400.295825
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24500316
moves confirmed later: 27756886
all moves confirmed: 52257202
percent of confirmed moves: 6.532150
current total energy: -374.924517
recalc. total energy: -374.924517
out arg RESULTS//1/Science-9efd2239_01
Time of doing 8000000 iterations: 6038.142 seconds