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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-223ba571/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-223ba571/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _(((((......)))))_
nucl1: 4, chain1: 0, <---> nucl2: 11, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 11
nucl1: 3, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 2, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 1, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 0, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 15
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_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: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 20.772692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 20.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 78.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -155.916578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.916578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.889983 (E_RNA)
where:
Base-Base interactions energy: -106.687
where: short stacking energy: -42.271
Base-Backbone interact. energy: -0.098
local terms energy: -50.104713
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -184.140164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140164 (E_RNA)
where:
Base-Base interactions energy: -125.680
where: short stacking energy: -54.495
Base-Backbone interact. energy: -0.003
local terms energy: -58.456413
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -171.510198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.510198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.510198 (E_RNA)
where:
Base-Base interactions energy: -117.576
where: short stacking energy: -47.429
Base-Backbone interact. energy: -0.035
local terms energy: -53.899169
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -132.392863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.392863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.551293 (E_RNA)
where:
Base-Base interactions energy: -90.963
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.179
local terms energy: -42.409248
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -7.731
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -164.375730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.375730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.451579 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.852
local terms energy: -45.966174
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -5.184
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -11.850
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -134.338371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.390963 (E_RNA)
where:
Base-Base interactions energy: -88.061
where: short stacking energy: -33.257
Base-Backbone interact. energy: -0.661
local terms energy: -46.668763
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 1.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -159.079931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.079931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.235205 (E_RNA)
where:
Base-Base interactions energy: -110.121
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.078
local terms energy: -49.036640
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -8.575
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -87.342336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.342336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.968939 (E_RNA)
where:
Base-Base interactions energy: -54.907
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.319
local terms energy: -37.743045
where:
bonds (distance) C4'-P energy: -4.758
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 5.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -97.834276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.304235 (E_RNA)
where:
Base-Base interactions energy: -66.395
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.216
local terms energy: -36.693289
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 5.470 (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: 2
Temperature: 1.350000
Total energy: -157.335694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.335694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.411215 (E_RNA)
where:
Base-Base interactions energy: -104.087
where: short stacking energy: -43.205
Base-Backbone interact. energy: -0.005
local terms energy: -53.319106
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -15.224
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -180.225530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.225530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.538773 (E_RNA)
where:
Base-Base interactions energy: -124.623
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.017
local terms energy: -55.898257
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -10.069
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -184.786030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.786030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.844203 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.185
local terms energy: -54.611057
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -9.265
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -177.586870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.586870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.704824 (E_RNA)
where:
Base-Base interactions energy: -123.213
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.003
local terms energy: -54.488804
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -13.953
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -169.655493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.655493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.711782 (E_RNA)
where:
Base-Base interactions energy: -112.578
where: short stacking energy: -47.605
Base-Backbone interact. energy: -0.164
local terms energy: -56.969935
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -10.678
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -122.716511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.716511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.980909 (E_RNA)
where:
Base-Base interactions energy: -81.008
where: short stacking energy: -29.078
Base-Backbone interact. energy: -0.113
local terms energy: -41.860497
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -5.089
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -176.208252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.208252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.208400 (E_RNA)
where:
Base-Base interactions energy: -119.462
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.666
local terms energy: -56.080477
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -9.189
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -153.836106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.024754 (E_RNA)
where:
Base-Base interactions energy: -115.355
where: short stacking energy: -53.616
Base-Backbone interact. energy: 0.769
local terms energy: -39.438818
where:
bonds (distance) C4'-P energy: -1.922
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -12.019
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -110.719606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.719606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.216369 (E_RNA)
where:
Base-Base interactions energy: -75.093
where: short stacking energy: -20.803
Base-Backbone interact. energy: -0.349
local terms energy: -35.774791
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -7.423
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -1.909
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -134.259568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.259568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.456132 (E_RNA)
where:
Base-Base interactions energy: -95.785
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.099
local terms energy: -38.572195
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -8.132
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -4.077
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -163.489360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.489360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.712440 (E_RNA)
where:
Base-Base interactions energy: -109.121
where: short stacking energy: -47.290
Base-Backbone interact. energy: -0.000
local terms energy: -54.590735
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -14.161
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -180.882517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.882517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.951029 (E_RNA)
where:
Base-Base interactions energy: -124.564
where: short stacking energy: -51.942
Base-Backbone interact. energy: 0.084
local terms energy: -56.471263
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -10.688
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -191.202479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.202479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.220478 (E_RNA)
where:
Base-Base interactions energy: -129.436
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.070
local terms energy: -61.714747
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.143
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -183.093441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.093441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.118947 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.539
local terms energy: -55.448884
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -9.821
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -193.382448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.383785 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.002
local terms energy: -57.348086
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -17.776
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -182.332922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.332922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.390642 (E_RNA)
where:
Base-Base interactions energy: -126.715
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.011
local terms energy: -55.664840
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -6.323
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -15.277
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -147.207320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.207320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.210161 (E_RNA)
where:
Base-Base interactions energy: -107.192
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.101
local terms energy: -39.916620
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -5.980
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -174.782377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.782377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.817832 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -55.316
Base-Backbone interact. energy: -0.074
local terms energy: -55.586309
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -13.525
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: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -108.332087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.332087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.898753 (E_RNA)
where:
Base-Base interactions energy: -70.110
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.074
local terms energy: -40.715090
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 2.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -175.182675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.270772 (E_RNA)
where:
Base-Base interactions energy: -124.686
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.004
local terms energy: -50.580460
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -13.548
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -154.266377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.266377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.430663 (E_RNA)
where:
Base-Base interactions energy: -114.949
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.164
local terms energy: -39.318299
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -6.511
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -188.706709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.706709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.746083 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -52.681
Base-Backbone interact. energy: -0.024
local terms energy: -58.070472
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -11.151
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: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -193.068666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.143636 (E_RNA)
where:
Base-Base interactions energy: -135.346
where: short stacking energy: -56.357
Base-Backbone interact. energy: -1.374
local terms energy: -56.423744
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.649
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -185.132895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.132895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.170710 (E_RNA)
where:
Base-Base interactions energy: -129.144
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.013
local terms energy: -56.014314
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -12.807
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -187.130756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.130756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.130756 (E_RNA)
where:
Base-Base interactions energy: -128.441
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.000
local terms energy: -58.689441
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -16.421
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -185.466437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.466437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.479512 (E_RNA)
where:
Base-Base interactions energy: -129.694
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.001
local terms energy: -55.784823
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -14.904
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -170.682065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682065 (E_RNA)
where:
Base-Base interactions energy: -118.691
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.292
local terms energy: -51.699296
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -7.534
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -10.890
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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -157.763904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.797558 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -49.220
Base-Backbone interact. energy: 0.404
local terms energy: -42.014817
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -1.902
tors. eta vs tors. theta energy: -7.069
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -171.695826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.695826 (E_RNA)
where:
Base-Base interactions energy: -120.101
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.001
local terms energy: -51.594075
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -149.954860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.954860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.046920 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -42.305
Base-Backbone interact. energy: 0.289
local terms energy: -51.136564
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -10.982
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -151.202724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.202724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.425280 (E_RNA)
where:
Base-Base interactions energy: -108.434
where: short stacking energy: -41.421
Base-Backbone interact. energy: -0.071
local terms energy: -42.920482
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -4.994
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: 6
Temperature: 0.900000
Total energy: -194.558823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.558823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608754 (E_RNA)
where:
Base-Base interactions energy: -133.614
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.317
local terms energy: -60.677803
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -14.200
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -176.252112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.252112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.321162 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.057
local terms energy: -52.570612
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -9.374
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: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -185.505293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.549663 (E_RNA)
where:
Base-Base interactions energy: -134.195
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.029
local terms energy: -51.325110
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -10.293
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: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -183.786949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.786949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790221 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -58.289
Base-Backbone interact. energy: -0.001
local terms energy: -53.881602
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -14.290
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: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -187.233429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.233429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.241578 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.018
local terms energy: -59.225212
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -13.860
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: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -178.337931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.351474 (E_RNA)
where:
Base-Base interactions energy: -124.526
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.001
local terms energy: -53.824530
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -14.442
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -191.360579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.360579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.374786 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.156
local terms energy: -61.941178
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -13.795
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -169.838484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.838484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.950361 (E_RNA)
where:
Base-Base interactions energy: -113.884
where: short stacking energy: -49.250
Base-Backbone interact. energy: -0.005
local terms energy: -56.060869
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -12.249
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -160.114051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.114051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.387928 (E_RNA)
where:
Base-Base interactions energy: -115.745
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.007
local terms energy: -44.635204
where:
bonds (distance) C4'-P energy: -6.984
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -11.059
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -162.188677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.188677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.371471 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.008
local terms energy: -45.364899
where:
bonds (distance) C4'-P energy: -7.667
bonds (distance) P-C4' energy: -5.649
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -14.231
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: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -192.948400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.948400 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.000
local terms energy: -62.405254
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -17.304
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: 7
Temperature: 0.950000
Total energy: -184.999076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.014544 (E_RNA)
where:
Base-Base interactions energy: -129.478
where: short stacking energy: -49.031
Base-Backbone interact. energy: -0.559
local terms energy: -54.978209
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -11.795
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -176.393060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.393060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.594992 (E_RNA)
where:
Base-Base interactions energy: -122.495
where: short stacking energy: -56.948
Base-Backbone interact. energy: -0.199
local terms energy: -53.901297
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -12.301
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: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -185.481042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.481042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.574604 (E_RNA)
where:
Base-Base interactions energy: -127.185
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.002
local terms energy: -58.387665
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -16.335
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: 7
Temperature: 1.100000
Total energy: -181.292859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.292859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.405528 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.025
local terms energy: -59.761536
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -11.362
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: 7
Temperature: 1.150000
Total energy: -176.754251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.808141 (E_RNA)
where:
Base-Base interactions energy: -122.127
where: short stacking energy: -55.508
Base-Backbone interact. energy: -0.146
local terms energy: -54.535225
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -12.702
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: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -181.793225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.793225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.793225 (E_RNA)
where:
Base-Base interactions energy: -125.904
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.005
local terms energy: -55.883949
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -167.113922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.113922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.179161 (E_RNA)
where:
Base-Base interactions energy: -113.447
where: short stacking energy: -48.125
Base-Backbone interact. energy: -0.001
local terms energy: -53.731039
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -10.675
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: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -176.000393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167236 (E_RNA)
where:
Base-Base interactions energy: -118.568
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.003
local terms energy: -57.596595
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -14.024
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -168.078101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.078101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.402915 (E_RNA)
where:
Base-Base interactions energy: -115.351
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.110
local terms energy: -52.942557
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -8.148
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -11.928
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -193.646556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.646556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.716636 (E_RNA)
where:
Base-Base interactions energy: -131.064
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.009
local terms energy: -62.643541
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -16.022
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -187.103705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.103705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.106748 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.080
local terms energy: -58.825503
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -11.515
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: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -185.866825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.866825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.921607 (E_RNA)
where:
Base-Base interactions energy: -125.837
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.668
local terms energy: -59.417318
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -15.437
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: 8
Temperature: 1.050000
Total energy: -179.256290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.256290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.335334 (E_RNA)
where:
Base-Base interactions energy: -123.677
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.037
local terms energy: -55.621428
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -14.390
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -186.482102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.482102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.517949 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.226
local terms energy: -51.645834
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -10.421
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -174.889206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.889206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.889206 (E_RNA)
where:
Base-Base interactions energy: -116.168
where: short stacking energy: -43.754
Base-Backbone interact. energy: -0.077
local terms energy: -58.643570
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -11.915
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -173.923769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.923769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.098308 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.000
local terms energy: -50.413743
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -12.217
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: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -172.570442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.666010 (E_RNA)
where:
Base-Base interactions energy: -120.817
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.040
local terms energy: -51.808776
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -7.185
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -13.981
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -172.688255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.688255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.688255 (E_RNA)
where:
Base-Base interactions energy: -124.968
where: short stacking energy: -54.101
Base-Backbone interact. energy: 3.022
local terms energy: -50.741993
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -164.292291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.292291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.377717 (E_RNA)
where:
Base-Base interactions energy: -123.858
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.218
local terms energy: -40.300948
where:
bonds (distance) C4'-P energy: -2.835
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -12.537
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -195.511280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.511280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.515505 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.012
local terms energy: -62.313869
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -17.142
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: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -186.620100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.620100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.690328 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.037
local terms energy: -61.104425
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.022
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: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -184.051643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.051643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108766 (E_RNA)
where:
Base-Base interactions energy: -130.206
where: short stacking energy: -51.108
Base-Backbone interact. energy: -0.016
local terms energy: -53.886524
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -12.251
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: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -189.762878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.911689 (E_RNA)
where:
Base-Base interactions energy: -132.854
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.265
local terms energy: -56.792290
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -10.970
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: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -183.296225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.296225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.454966 (E_RNA)
where:
Base-Base interactions energy: -128.421
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.054
local terms energy: -54.980303
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -9.402
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -16.753
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: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -170.769584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.769584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.853365 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -48.814
Base-Backbone interact. energy: -0.124
local terms energy: -55.666060
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -9.731
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -177.987905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.077897 (E_RNA)
where:
Base-Base interactions energy: -121.016
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.034
local terms energy: -57.028076
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -10.136
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -167.330587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.330587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.330587 (E_RNA)
where:
Base-Base interactions energy: -112.946
where: short stacking energy: -46.467
Base-Backbone interact. energy: -0.409
local terms energy: -53.974969
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -169.040297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.040297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.099932 (E_RNA)
where:
Base-Base interactions energy: -114.722
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.011
local terms energy: -54.367039
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -13.754
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: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -165.431432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.431432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.467152 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.003
local terms energy: -44.201369
where:
bonds (distance) C4'-P energy: -6.686
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -13.921
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: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -193.908173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.908173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.908173 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.002
local terms energy: -60.276053
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -16.422
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -189.222155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.222155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.223257 (E_RNA)
where:
Base-Base interactions energy: -132.925
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.197
local terms energy: -56.101242
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -14.926
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: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -187.006748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.006748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.157480 (E_RNA)
where:
Base-Base interactions energy: -127.770
where: short stacking energy: -55.700
Base-Backbone interact. energy: -0.637
local terms energy: -58.750411
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -13.664
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: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -177.578065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.658508 (E_RNA)
where:
Base-Base interactions energy: -125.057
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.004
local terms energy: -52.596978
where:
bonds (distance) C4'-P energy: -6.667
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -14.542
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -175.856006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.984954 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -53.263
Base-Backbone interact. energy: -0.002
local terms energy: -55.026027
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -15.136
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: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -177.352923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.352923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.352923 (E_RNA)
where:
Base-Base interactions energy: -122.415
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.159
local terms energy: -54.778894
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.448
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -172.766146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.770705 (E_RNA)
where:
Base-Base interactions energy: -119.754
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.008
local terms energy: -53.008883
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -12.901
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: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -165.171226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189361 (E_RNA)
where:
Base-Base interactions energy: -116.116
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.021
local terms energy: -49.051859
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -9.833
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: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -167.705743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.705743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.705743 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -53.862
Base-Backbone interact. energy: 1.086
local terms energy: -51.743659
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -161.957223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.957223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.047399 (E_RNA)
where:
Base-Base interactions energy: -110.723
where: short stacking energy: -45.445
Base-Backbone interact. energy: -0.011
local terms energy: -51.313217
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -11.366
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: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -189.992363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.992363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.042712 (E_RNA)
where:
Base-Base interactions energy: -130.860
where: short stacking energy: -54.639
Base-Backbone interact. energy: 0.676
local terms energy: -59.857863
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -13.499
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: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -182.155797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.155797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.357056 (E_RNA)
where:
Base-Base interactions energy: -130.977
where: short stacking energy: -52.730
Base-Backbone interact. energy: 2.162
local terms energy: -53.542022
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -9.991
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -185.161826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.161826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.161826 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.004
local terms energy: -60.772361
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -14.876
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: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -187.685832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.722245 (E_RNA)
where:
Base-Base interactions energy: -132.681
where: short stacking energy: -57.232
Base-Backbone interact. energy: 0.038
local terms energy: -55.079426
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -14.844
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: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -186.300623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.300623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.362059 (E_RNA)
where:
Base-Base interactions energy: -133.594
where: short stacking energy: -52.484
Base-Backbone interact. energy: -1.242
local terms energy: -51.526123
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -15.271
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -180.557132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.557132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.588923 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.000
local terms energy: -52.044943
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -16.325
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -170.051943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.051943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.163436 (E_RNA)
where:
Base-Base interactions energy: -117.704
where: short stacking energy: -50.520
Base-Backbone interact. energy: -0.065
local terms energy: -52.394860
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -12.325
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: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -171.552326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.552326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.614833 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.700
local terms energy: -51.960619
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -5.759
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -15.276
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: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -177.108596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.108596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.109259 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -49.981
Base-Backbone interact. energy: -0.457
local terms energy: -56.172944
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -11.003
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: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -168.457132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.457132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.507285 (E_RNA)
where:
Base-Base interactions energy: -111.926
where: short stacking energy: -49.013
Base-Backbone interact. energy: -0.601
local terms energy: -55.980478
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -7.748
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.945
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: 1, replica: 10
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -187.299668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299668 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.916
local terms energy: -57.387020
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.071
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: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -194.522507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.522507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.553953 (E_RNA)
where:
Base-Base interactions energy: -131.988
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.024
local terms energy: -62.541047
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -17.088
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -182.570696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.570696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.682226 (E_RNA)
where:
Base-Base interactions energy: -126.372
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.000
local terms energy: -56.310552
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.695
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -182.746182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.746182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.765325 (E_RNA)
where:
Base-Base interactions energy: -124.813
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.005
local terms energy: -57.947467
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -11.778
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: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -184.185410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.185410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.185410 (E_RNA)
where:
Base-Base interactions energy: -129.301
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.027
local terms energy: -54.857177
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -177.571560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571560 (E_RNA)
where:
Base-Base interactions energy: -119.739
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.050
local terms energy: -57.781728
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.458
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -164.130969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.130969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.217144 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.001
local terms energy: -45.747803
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -0.165
tors. eta vs tors. theta energy: -11.725
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: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -172.477427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.477427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.497396 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.381
local terms energy: -54.605861
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.020 (S_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: -166.805498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.805498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.907187 (E_RNA)
where:
Base-Base interactions energy: -110.906
where: short stacking energy: -48.336
Base-Backbone interact. energy: -0.072
local terms energy: -55.929325
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.126
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: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -163.958681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.958681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.993523 (E_RNA)
where:
Base-Base interactions energy: -114.508
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.069
local terms energy: -49.416250
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -13.073
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: 1, replica: 10
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -190.645721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.645721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.650619 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -53.193
Base-Backbone interact. energy: -0.274
local terms energy: -57.678105
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -12.537
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: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -189.077202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.077202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.094830 (E_RNA)
where:
Base-Base interactions energy: -128.536
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.004
local terms energy: -60.554772
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -13.472
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: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -189.241253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.272428 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -54.841
Base-Backbone interact. energy: -0.000
local terms energy: -61.108180
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -17.200
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -173.695233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.777746 (E_RNA)
where:
Base-Base interactions energy: -120.629
where: short stacking energy: -51.490
Base-Backbone interact. energy: -0.321
local terms energy: -52.827793
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -11.644
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: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -181.372019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.372019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.372307 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -48.749
Base-Backbone interact. energy: -0.003
local terms energy: -61.621905
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -173.135111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.135111 (E_RNA)
where:
Base-Base interactions energy: -125.500
where: short stacking energy: -54.357
Base-Backbone interact. energy: -0.008
local terms energy: -47.627172
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -11.224
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: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -182.551705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.551705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.671956 (E_RNA)
where:
Base-Base interactions energy: -121.748
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.000
local terms energy: -60.924169
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -18.050
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: 13
Temperature: 1.250000
Total energy: -174.223685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.223685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.322948 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.001
local terms energy: -55.559858
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -13.261
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: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -170.332792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.332792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.624488 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.020
local terms energy: -55.750642
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -11.459
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: 13
Temperature: 1.350000
Total energy: -161.295307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.356025 (E_RNA)
where:
Base-Base interactions energy: -111.569
where: short stacking energy: -47.034
Base-Backbone interact. energy: -0.094
local terms energy: -49.693306
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -12.166
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: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -191.404453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.404453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404453 (E_RNA)
where:
Base-Base interactions energy: -133.332
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.038
local terms energy: -58.034786
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -11.823
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: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -191.483275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.483275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609849 (E_RNA)
where:
Base-Base interactions energy: -135.079
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.332
local terms energy: -56.199461
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -11.919
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -188.247030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.247030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.289426 (E_RNA)
where:
Base-Base interactions energy: -128.729
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.002
local terms energy: -59.558190
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -17.260
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: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -188.796539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.796539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.818072 (E_RNA)
where:
Base-Base interactions energy: -129.603
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.026
local terms energy: -59.189038
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -14.562
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: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -183.765114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.765114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.952671 (E_RNA)
where:
Base-Base interactions energy: -123.627
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.003
local terms energy: -60.323006
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -16.846
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: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -168.836065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.836065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.836065 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.806
local terms energy: -52.685619
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -10.101
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: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -177.891151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.891151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.908146 (E_RNA)
where:
Base-Base interactions energy: -125.042
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.022
local terms energy: -52.844482
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -16.005
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: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -173.250529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.366007 (E_RNA)
where:
Base-Base interactions energy: -117.419
where: short stacking energy: -55.881
Base-Backbone interact. energy: -0.065
local terms energy: -55.882492
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -15.694
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: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -157.899369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.899369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.088625 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -37.540
Base-Backbone interact. energy: -0.054
local terms energy: -46.193729
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -8.419
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -10.301
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: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -167.590020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.590020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.651267 (E_RNA)
where:
Base-Base interactions energy: -115.524
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.003
local terms energy: -52.124268
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -12.859
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: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -190.452619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.452619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496990 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -58.105
Base-Backbone interact. energy: -0.751
local terms energy: -61.663724
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -15.314
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: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -188.810334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.810334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.810334 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.007
local terms energy: -58.704956
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -13.646
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: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -190.056521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.056521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.139311 (E_RNA)
where:
Base-Base interactions energy: -137.287
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.924
local terms energy: -51.928383
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -10.697
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: 15
Temperature: 1.050000
Total energy: -186.720301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.720301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.780901 (E_RNA)
where:
Base-Base interactions energy: -129.534
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.002
local terms energy: -57.245186
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -14.347
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: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -177.825593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.825593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.885326 (E_RNA)
where:
Base-Base interactions energy: -122.225
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.006
local terms energy: -55.654250
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -12.556
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: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -175.880991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.880991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.895540 (E_RNA)
where:
Base-Base interactions energy: -123.159
where: short stacking energy: -53.405
Base-Backbone interact. energy: 0.335
local terms energy: -53.071301
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -13.510
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: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -179.135077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.135077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.156676 (E_RNA)
where:
Base-Base interactions energy: -121.306
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.003
local terms energy: -57.847626
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -14.494
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: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -169.717903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.717903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.811665 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -46.735
Base-Backbone interact. energy: -0.181
local terms energy: -48.471211
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -10.485
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: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -168.694258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.694258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.937593 (E_RNA)
where:
Base-Base interactions energy: -118.476
where: short stacking energy: -52.816
Base-Backbone interact. energy: 1.298
local terms energy: -51.759067
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -6.182
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -14.127
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: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -163.479974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.479974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.506379 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.193
local terms energy: -44.221355
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -10.944
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -191.189280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.189280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346498 (E_RNA)
where:
Base-Base interactions energy: -128.198
where: short stacking energy: -59.873
Base-Backbone interact. energy: -0.007
local terms energy: -63.140974
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -14.633
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: 16
Temperature: 0.950000
Total energy: -188.964393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.968360 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.001
local terms energy: -61.081269
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -15.658
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -185.811700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.811700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.820447 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.005
local terms energy: -56.799500
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -15.187
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: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -186.696593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.696593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.788600 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.655
local terms energy: -51.631443
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -10.588
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: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -173.806134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.806134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.196688 (E_RNA)
where:
Base-Base interactions energy: -121.641
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.684
local terms energy: -51.871576
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -8.584
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -13.252
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -177.880010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.880010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.925203 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.000
local terms energy: -54.775481
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -14.699
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -162.445400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.445400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.747239 (E_RNA)
where:
Base-Base interactions energy: -116.381
where: short stacking energy: -43.220
Base-Backbone interact. energy: -0.246
local terms energy: -46.119479
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -8.311
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -173.686541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.686541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.772716 (E_RNA)
where:
Base-Base interactions energy: -120.702
where: short stacking energy: -52.121
Base-Backbone interact. energy: -0.570
local terms energy: -52.500795
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -9.133
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -13.817
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: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -157.289703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.289703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.365555 (E_RNA)
where:
Base-Base interactions energy: -109.925
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.200
local terms energy: -47.240461
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -9.060
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -8.369
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: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -166.421244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.421244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.503267 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -46.097
Base-Backbone interact. energy: 0.337
local terms energy: -51.985901
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -13.139
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -189.531400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.531400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.570442 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.000
local terms energy: -59.292421
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -13.555
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -192.787862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.787862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.807787 (E_RNA)
where:
Base-Base interactions energy: -128.433
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.006
local terms energy: -64.368546
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -187.861319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.861319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862473 (E_RNA)
where:
Base-Base interactions energy: -131.029
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.000
local terms energy: -56.832855
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -14.896
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: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -188.600963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.600963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.600963 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.000
local terms energy: -56.893075
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -15.577
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: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -188.386881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.386881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513534 (E_RNA)
where:
Base-Base interactions energy: -136.142
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.274
local terms energy: -52.096838
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -11.049
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: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -176.649551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.649551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.731601 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -48.832
Base-Backbone interact. energy: -0.218
local terms energy: -52.757659
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -9.997
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: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -159.232998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.232998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.324681 (E_RNA)
where:
Base-Base interactions energy: -113.346
where: short stacking energy: -43.847
Base-Backbone interact. energy: 0.115
local terms energy: -46.094087
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -6.217
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -175.022207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.022207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.051620 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.015
local terms energy: -51.670908
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -14.138
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: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -166.385663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.385663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.433337 (E_RNA)
where:
Base-Base interactions energy: -115.672
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.064
local terms energy: -50.696994
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -10.503
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: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -169.365776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.365776 (E_RNA)
where:
Base-Base interactions energy: -119.817
where: short stacking energy: -50.245
Base-Backbone interact. energy: -0.639
local terms energy: -48.909379
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -192.798131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.798131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.806361 (E_RNA)
where:
Base-Base interactions energy: -133.054
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.122
local terms energy: -59.630174
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.305
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -186.739539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.739539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.739539 (E_RNA)
where:
Base-Base interactions energy: -128.255
where: short stacking energy: -57.472
Base-Backbone interact. energy: 0.394
local terms energy: -58.878903
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -12.873
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: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -186.445351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447885 (E_RNA)
where:
Base-Base interactions energy: -127.442
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.005
local terms energy: -59.000973
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -16.367
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: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -186.023922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.023922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.067262 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.009
local terms energy: -61.992485
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -15.752
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -178.663145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.663145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840080 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -49.026
Base-Backbone interact. energy: -1.397
local terms energy: -50.219863
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -11.891
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -183.982479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.014569 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.074
local terms energy: -53.611588
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -4.554
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -11.934
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: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -172.167380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.167380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.404089 (E_RNA)
where:
Base-Base interactions energy: -121.725
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.005
local terms energy: -50.674285
where:
bonds (distance) C4'-P energy: -3.499
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -16.216
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: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -164.185942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.185942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.531640 (E_RNA)
where:
Base-Base interactions energy: -112.625
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.026
local terms energy: -51.880226
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -12.548
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: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -169.895596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.895596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.911293 (E_RNA)
where:
Base-Base interactions energy: -121.572
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.105
local terms energy: -48.234200
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -9.430
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -168.314201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.486556 (E_RNA)
where:
Base-Base interactions energy: -113.819
where: short stacking energy: -51.225
Base-Backbone interact. energy: -0.043
local terms energy: -54.623955
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -13.625
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: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -194.180684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.345298 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.000
local terms energy: -64.051621
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -17.920
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: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -194.282124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.282124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.282124 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.005
local terms energy: -63.312548
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.844
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: 19
Temperature: 1.000000
Total energy: -186.908761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.908761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.925734 (E_RNA)
where:
Base-Base interactions energy: -128.964
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.005
local terms energy: -57.956579
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -15.094
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: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -189.586912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.586912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586912 (E_RNA)
where:
Base-Base interactions energy: -129.827
where: short stacking energy: -53.352
Base-Backbone interact. energy: 0.060
local terms energy: -59.819890
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -175.730818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.730818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.797381 (E_RNA)
where:
Base-Base interactions energy: -122.975
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.010
local terms energy: -52.812609
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -14.088
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: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -177.270290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.270290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.318596 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -56.508
Base-Backbone interact. energy: -0.014
local terms energy: -53.893833
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -16.334
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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -171.905292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.905292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.961400 (E_RNA)
where:
Base-Base interactions energy: -119.619
where: short stacking energy: -49.088
Base-Backbone interact. energy: -0.015
local terms energy: -52.327718
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -8.238
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: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -175.215542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.215542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.261033 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.002
local terms energy: -53.541647
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -14.029
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: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -160.184425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.184425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507070 (E_RNA)
where:
Base-Base interactions energy: -107.598
where: short stacking energy: -45.790
Base-Backbone interact. energy: -0.019
local terms energy: -52.889924
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -10.685
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: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -165.157138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.157138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.286894 (E_RNA)
where:
Base-Base interactions energy: -109.964
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.064
local terms energy: -55.258957
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -10.307
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: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -194.018803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.032943 (E_RNA)
where:
Base-Base interactions energy: -129.792
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.001
local terms energy: -64.240728
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -14.728
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: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -185.462136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.462136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.510250 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.007
local terms energy: -57.988083
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -14.304
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -183.266690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.266690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379350 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.000
local terms energy: -53.602901
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -13.994
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: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -179.135657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.135657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.223651 (E_RNA)
where:
Base-Base interactions energy: -122.052
where: short stacking energy: -51.139
Base-Backbone interact. energy: -0.080
local terms energy: -57.092244
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -12.188
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: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -186.840199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.840199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.854663 (E_RNA)
where:
Base-Base interactions energy: -131.511
where: short stacking energy: -57.547
Base-Backbone interact. energy: 2.034
local terms energy: -57.377944
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -14.161
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: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -176.535202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.535202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.545725 (E_RNA)
where:
Base-Base interactions energy: -128.369
where: short stacking energy: -53.918
Base-Backbone interact. energy: -0.011
local terms energy: -48.166124
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -6.845
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -13.798
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: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -179.383771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.383771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.383771 (E_RNA)
where:
Base-Base interactions energy: -124.680
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.064
local terms energy: -54.639933
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -6.874
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -172.215489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490851 (E_RNA)
where:
Base-Base interactions energy: -126.053
where: short stacking energy: -51.190
Base-Backbone interact. energy: -0.664
local terms energy: -45.774155
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -5.902
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -10.564
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: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -155.861542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.861542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.997123 (E_RNA)
where:
Base-Base interactions energy: -108.899
where: short stacking energy: -47.439
Base-Backbone interact. energy: -0.006
local terms energy: -47.092431
where:
bonds (distance) C4'-P energy: -7.112
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.119
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -163.189056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.189056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.309991 (E_RNA)
where:
Base-Base interactions energy: -109.875
where: short stacking energy: -50.479
Base-Backbone interact. energy: -0.030
local terms energy: -53.404642
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -10.533
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -195.284920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.284920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291171 (E_RNA)
where:
Base-Base interactions energy: -135.035
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.041
local terms energy: -60.215567
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -14.230
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -192.459062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.459062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.481234 (E_RNA)
where:
Base-Base interactions energy: -131.213
where: short stacking energy: -58.246
Base-Backbone interact. energy: 0.233
local terms energy: -61.502111
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -16.001
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: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -184.999293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.999293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.041285 (E_RNA)
where:
Base-Base interactions energy: -128.213
where: short stacking energy: -57.433
Base-Backbone interact. energy: 0.797
local terms energy: -57.625727
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -14.150
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: 21
Temperature: 1.050000
Total energy: -184.181706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.352825 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.004
local terms energy: -56.889871
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -15.424
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: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -174.218213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.218213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.235993 (E_RNA)
where:
Base-Base interactions energy: -124.390
where: short stacking energy: -51.854
Base-Backbone interact. energy: -0.025
local terms energy: -49.820614
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -8.233
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -10.797
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: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -175.714901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.714901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.125510 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -50.627
Base-Backbone interact. energy: -0.475
local terms energy: -57.752974
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -10.326
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: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -172.731877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.731877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.905914 (E_RNA)
where:
Base-Base interactions energy: -119.579
where: short stacking energy: -47.834
Base-Backbone interact. energy: -0.052
local terms energy: -53.274279
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -10.708
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -176.232591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.232591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.373555 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.278
local terms energy: -52.822380
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -9.102
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -166.115349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.115349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.132977 (E_RNA)
where:
Base-Base interactions energy: -116.670
where: short stacking energy: -49.933
Base-Backbone interact. energy: 2.496
local terms energy: -51.959446
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -12.596
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: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -171.866143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.866143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.884379 (E_RNA)
where:
Base-Base interactions energy: -121.882
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.002
local terms energy: -50.000540
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -11.100
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: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -188.633458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.633458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.656079 (E_RNA)
where:
Base-Base interactions energy: -126.895
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.057
local terms energy: -61.704278
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -13.317
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: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -188.442927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.442927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492214 (E_RNA)
where:
Base-Base interactions energy: -125.658
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.000
local terms energy: -62.833977
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -14.687
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: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -180.662585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.662585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.771493 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.102
local terms energy: -54.263615
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -11.668
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: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -189.097453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.097453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.106489 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -57.552
Base-Backbone interact. energy: -0.002
local terms energy: -60.325781
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -14.899
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: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -179.199081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.199081 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.041
local terms energy: -54.888914
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -183.980798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.980798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.027797 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -60.197
Base-Backbone interact. energy: -0.009
local terms energy: -53.533396
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -7.816
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -15.926
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: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -178.289602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.289602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.364249 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -48.057
Base-Backbone interact. energy: -0.122
local terms energy: -52.752789
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -10.837
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: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -175.019026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.019026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.083714 (E_RNA)
where:
Base-Base interactions energy: -125.277
where: short stacking energy: -54.822
Base-Backbone interact. energy: 0.477
local terms energy: -50.283492
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -13.959
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: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -163.118519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118758 (E_RNA)
where:
Base-Base interactions energy: -115.672
where: short stacking energy: -44.135
Base-Backbone interact. energy: -0.001
local terms energy: -47.445009
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -162.376616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.376616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.414210 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -53.384
Base-Backbone interact. energy: -0.020
local terms energy: -48.132634
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -1.716
tors. eta vs tors. theta energy: -10.990
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -193.076113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.076113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.127361 (E_RNA)
where:
Base-Base interactions energy: -128.272
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.042
local terms energy: -64.813568
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -16.875
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: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -190.245667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.245667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.296517 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.064
local terms energy: -59.087676
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -12.467
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: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -189.858708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.858708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.901894 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.007
local terms energy: -61.390819
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -15.584
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -185.452945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.452945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.452945 (E_RNA)
where:
Base-Base interactions energy: -131.868
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.000
local terms energy: -53.584948
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -15.199
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: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -186.067839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.067839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.067839 (E_RNA)
where:
Base-Base interactions energy: -127.952
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.576
local terms energy: -57.539197
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -165.334887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.334887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.430894 (E_RNA)
where:
Base-Base interactions energy: -111.822
where: short stacking energy: -44.708
Base-Backbone interact. energy: 0.433
local terms energy: -54.041248
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -13.242
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -184.614443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.614443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.614443 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.001
local terms energy: -59.366757
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -174.043806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.043806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.094713 (E_RNA)
where:
Base-Base interactions energy: -121.208
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.592
local terms energy: -52.294983
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -15.511
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -170.301988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.301988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.318862 (E_RNA)
where:
Base-Base interactions energy: -116.647
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.064
local terms energy: -53.607682
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -13.595
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: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -161.685185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.685185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.685185 (E_RNA)
where:
Base-Base interactions energy: -111.301
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.001
local terms energy: -50.383262
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -193.166833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.166833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.389631 (E_RNA)
where:
Base-Base interactions energy: -128.910
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.010
local terms energy: -64.469782
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.233
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -191.182853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.182853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263398 (E_RNA)
where:
Base-Base interactions energy: -129.334
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.020
local terms energy: -61.909615
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -15.202
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: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -184.221925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.221925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.357379 (E_RNA)
where:
Base-Base interactions energy: -122.753
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.061
local terms energy: -61.542777
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -13.268
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: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -180.630622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.630622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.849060 (E_RNA)
where:
Base-Base interactions energy: -123.010
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.002
local terms energy: -57.836699
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -12.119
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: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -183.971574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.971574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.978571 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -52.473
Base-Backbone interact. energy: -0.018
local terms energy: -60.756140
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -15.146
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: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -180.999459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.999459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.094105 (E_RNA)
where:
Base-Base interactions energy: -121.151
where: short stacking energy: -54.576
Base-Backbone interact. energy: -0.081
local terms energy: -59.861617
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -14.133
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: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -188.121184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.121184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.130500 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -62.506
Base-Backbone interact. energy: -0.058
local terms energy: -58.284455
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -17.248
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: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -178.105551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.105551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.213535 (E_RNA)
where:
Base-Base interactions energy: -131.912
where: short stacking energy: -48.010
Base-Backbone interact. energy: -0.227
local terms energy: -46.074463
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -9.966
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -7.240
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -166.554076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.554076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.778651 (E_RNA)
where:
Base-Base interactions energy: -119.042
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.036
local terms energy: -47.700572
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -9.321
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: 24
Temperature: 1.350000
Total energy: -172.156847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.156847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.160369 (E_RNA)
where:
Base-Base interactions energy: -123.253
where: short stacking energy: -46.364
Base-Backbone interact. energy: -0.887
local terms energy: -48.020470
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -11.095
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: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -191.461891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.461891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.547708 (E_RNA)
where:
Base-Base interactions energy: -128.620
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.003
local terms energy: -62.924167
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.502
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: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -187.841991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.841991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.852540 (E_RNA)
where:
Base-Base interactions energy: -127.962
where: short stacking energy: -56.584
Base-Backbone interact. energy: -0.067
local terms energy: -59.823493
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -14.013
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: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -188.438712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.438712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509328 (E_RNA)
where:
Base-Base interactions energy: -129.932
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.000
local terms energy: -58.577454
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -14.598
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: 25
Temperature: 1.050000
Total energy: -181.087253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.087253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.159199 (E_RNA)
where:
Base-Base interactions energy: -130.942
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.002
local terms energy: -50.214835
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -14.284
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: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -181.673477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.673477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.692417 (E_RNA)
where:
Base-Base interactions energy: -125.960
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.151
local terms energy: -55.581433
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -12.519
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -171.786917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.786917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.816891 (E_RNA)
where:
Base-Base interactions energy: -124.360
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.473
local terms energy: -46.984345
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -3.400
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -15.753
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: 25
Temperature: 1.200000
Total energy: -160.476146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.476146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.697982 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -45.754
Base-Backbone interact. energy: -0.184
local terms energy: -49.777651
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -7.676
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: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -163.707181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.707181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.817861 (E_RNA)
where:
Base-Base interactions energy: -114.314
where: short stacking energy: -48.594
Base-Backbone interact. energy: -0.004
local terms energy: -49.499650
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -8.537
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -12.044
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -159.667308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.667308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.751565 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -45.991
Base-Backbone interact. energy: -0.002
local terms energy: -46.360289
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -9.635
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -170.074940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.074940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.086864 (E_RNA)
where:
Base-Base interactions energy: -122.844
where: short stacking energy: -45.432
Base-Backbone interact. energy: -0.083
local terms energy: -47.159838
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -8.040
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -8.879
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: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -190.490334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.490334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.528418 (E_RNA)
where:
Base-Base interactions energy: -132.059
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.011
local terms energy: -58.459209
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -14.700
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: 26
Temperature: 0.950000
Total energy: -192.296911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.307146 (E_RNA)
where:
Base-Base interactions energy: -131.393
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.015
local terms energy: -60.899496
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -14.643
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: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -184.267436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.267436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439329 (E_RNA)
where:
Base-Base interactions energy: -126.621
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.009
local terms energy: -57.809096
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -14.427
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: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -180.375952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.448087 (E_RNA)
where:
Base-Base interactions energy: -124.771
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.103
local terms energy: -55.574256
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -13.964
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: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -178.337685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.441499 (E_RNA)
where:
Base-Base interactions energy: -122.922
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.080
local terms energy: -55.439442
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -11.616
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -174.275129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.275129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.300748 (E_RNA)
where:
Base-Base interactions energy: -119.878
where: short stacking energy: -54.905
Base-Backbone interact. energy: -0.025
local terms energy: -54.398085
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -12.044
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -183.496936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.496936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.638648 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.001
local terms energy: -58.046472
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -13.442
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -178.546687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.546687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.604552 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -51.725
Base-Backbone interact. energy: -0.158
local terms energy: -58.278050
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -15.216
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -173.298474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.298474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.376628 (E_RNA)
where:
Base-Base interactions energy: -120.201
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.024
local terms energy: -53.151794
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -5.761
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -15.976
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: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -165.283064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.283064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.432316 (E_RNA)
where:
Base-Base interactions energy: -114.905
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.038
local terms energy: -50.489176
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -9.173
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -195.165598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.165598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.201572 (E_RNA)
where:
Base-Base interactions energy: -128.121
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.013
local terms energy: -67.067356
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -15.902
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: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -195.035174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.035174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095578 (E_RNA)
where:
Base-Base interactions energy: -129.356
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.031
local terms energy: -65.707865
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -18.888
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: 27
Temperature: 1.000000
Total energy: -191.599259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.599259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.620141 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -61.900
Base-Backbone interact. energy: 0.348
local terms energy: -65.319481
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -17.872
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: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -183.920990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.920990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.970556 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.016
local terms energy: -56.416337
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -7.411
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.871
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: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -181.954539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.954539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.961809 (E_RNA)
where:
Base-Base interactions energy: -124.335
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.238
local terms energy: -57.388570
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -14.009
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: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -184.200560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.200560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253026 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.000
local terms energy: -55.902406
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -14.894
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: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -172.624580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.624580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651294 (E_RNA)
where:
Base-Base interactions energy: -118.040
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.100
local terms energy: -54.511683
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -11.850
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: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -163.077849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.077849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.139485 (E_RNA)
where:
Base-Base interactions energy: -113.192
where: short stacking energy: -50.544
Base-Backbone interact. energy: -0.134
local terms energy: -49.813150
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -10.422
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: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -167.001757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.001757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.046402 (E_RNA)
where:
Base-Base interactions energy: -118.355
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.183
local terms energy: -48.507682
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -12.356
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: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -171.460873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.460873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.516113 (E_RNA)
where:
Base-Base interactions energy: -118.349
where: short stacking energy: -52.430
Base-Backbone interact. energy: 4.202
local terms energy: -57.369162
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -15.921
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: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -193.362307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.366936 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.001
local terms energy: -59.512810
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -16.122
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: 2, replica: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -192.338086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.338086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.387655 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.006
local terms energy: -59.367040
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -14.561
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: 28
Temperature: 1.000000
Total energy: -187.538587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.538587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.538587 (E_RNA)
where:
Base-Base interactions energy: -132.669
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.004
local terms energy: -54.866123
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -13.321
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -189.510390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.510390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.531901 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -59.287
Base-Backbone interact. energy: -0.000
local terms energy: -59.430391
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -14.408
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: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -177.337933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.337933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.491049 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.037
local terms energy: -55.726616
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -13.246
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: 28
Temperature: 1.150000
Total energy: -163.438811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.465359 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.015
local terms energy: -55.145124
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -7.095
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: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -170.795918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.795918 (E_RNA)
where:
Base-Base interactions energy: -120.645
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.118
local terms energy: -50.032730
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -6.476
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -173.151495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.151495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.210523 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -53.417
Base-Backbone interact. energy: 0.142
local terms energy: -49.838040
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -10.823
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: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -161.862900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.862900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.111878 (E_RNA)
where:
Base-Base interactions energy: -113.610
where: short stacking energy: -46.977
Base-Backbone interact. energy: -0.048
local terms energy: -48.453799
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -9.483
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: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -157.425450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.425450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.492185 (E_RNA)
where:
Base-Base interactions energy: -108.827
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.060
local terms energy: -48.605508
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -7.708
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: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -193.297503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.297503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297503 (E_RNA)
where:
Base-Base interactions energy: -133.363
where: short stacking energy: -64.887
Base-Backbone interact. energy: -0.019
local terms energy: -59.916084
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -16.549
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: 29
Temperature: 0.950000
Total energy: -190.546581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.546581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.551093 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.006
local terms energy: -62.065996
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -14.784
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: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -187.881252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.881252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.961185 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -57.785
Base-Backbone interact. energy: 0.935
local terms energy: -61.671624
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -13.863
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: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -185.601895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.601895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.711384 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.643
local terms energy: -58.247496
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -14.199
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -183.164333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.321183 (E_RNA)
where:
Base-Base interactions energy: -123.551
where: short stacking energy: -53.477
Base-Backbone interact. energy: -0.245
local terms energy: -59.525037
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -15.151
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: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -169.035389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.035389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.051131 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -47.188
Base-Backbone interact. energy: 0.277
local terms energy: -52.612320
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -11.521
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: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -172.275233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.275233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.275233 (E_RNA)
where:
Base-Base interactions energy: -124.603
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.119
local terms energy: -47.553394
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -167.735903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.735903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.833210 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -46.925
Base-Backbone interact. energy: -0.049
local terms energy: -46.485190
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -9.468
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: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -167.299363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.430259 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -48.426
Base-Backbone interact. energy: -0.001
local terms energy: -48.509840
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -4.832
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -15.247
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: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -166.129028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.129028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.393903 (E_RNA)
where:
Base-Base interactions energy: -118.076
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.000
local terms energy: -48.318202
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -5.689
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -14.392
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: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -198.407396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.412894 (E_RNA)
where:
Base-Base interactions energy: -135.090
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.004
local terms energy: -63.318967
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -16.146
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: 2, replica: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -190.438796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.438796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.474080 (E_RNA)
where:
Base-Base interactions energy: -132.836
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.001
local terms energy: -57.636870
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -12.606
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: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -193.565597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.574877 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.080
local terms energy: -57.085005
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -13.292
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: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -183.923532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.923532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987987 (E_RNA)
where:
Base-Base interactions energy: -121.251
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.019
local terms energy: -62.717912
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -15.766
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: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -179.712253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.712253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.741200 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.118
local terms energy: -54.530202
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -10.936
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: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -181.484605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.484605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.486239 (E_RNA)
where:
Base-Base interactions energy: -125.400
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.044
local terms energy: -56.042905
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -174.379624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.379624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450302 (E_RNA)
where:
Base-Base interactions energy: -126.531
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.000
local terms energy: -47.918568
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -12.116
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -176.559455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.559455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.584509 (E_RNA)
where:
Base-Base interactions energy: -120.843
where: short stacking energy: -52.768
Base-Backbone interact. energy: -0.091
local terms energy: -55.650132
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -13.430
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: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -168.013192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.086275 (E_RNA)
where:
Base-Base interactions energy: -122.587
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.001
local terms energy: -45.498679
where:
bonds (distance) C4'-P energy: -4.715
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -6.957
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -16.807
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: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -162.228061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.228061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.230917 (E_RNA)
where:
Base-Base interactions energy: -114.894
where: short stacking energy: -48.128
Base-Backbone interact. energy: -0.002
local terms energy: -47.335096
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -10.215
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: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -192.570647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.570647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.610232 (E_RNA)
where:
Base-Base interactions energy: -132.023
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.001
local terms energy: -60.586180
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -14.812
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: 9
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -192.838924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.838924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.857248 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.005
local terms energy: -62.000213
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -14.220
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: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -186.402263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.402263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.688996 (E_RNA)
where:
Base-Base interactions energy: -131.714
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.279
local terms energy: -54.696708
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -14.155
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: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -189.028055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.046382 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.607
local terms energy: -56.927762
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -12.951
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -178.355486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360096 (E_RNA)
where:
Base-Base interactions energy: -126.405
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.000
local terms energy: -51.954958
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -15.916
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: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -173.617725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.617725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.686214 (E_RNA)
where:
Base-Base interactions energy: -119.379
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.030
local terms energy: -54.277224
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -10.443
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -176.098170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.098170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167756 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.199
local terms energy: -52.763212
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -9.340
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: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -173.912567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.912567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.041723 (E_RNA)
where:
Base-Base interactions energy: -119.482
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.080
local terms energy: -54.479519
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -14.505
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: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -164.282389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.282389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.454090 (E_RNA)
where:
Base-Base interactions energy: -109.533
where: short stacking energy: -47.813
Base-Backbone interact. energy: -0.003
local terms energy: -54.917264
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -12.427
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: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -167.240894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.240894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.301912 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.019
local terms energy: -53.762583
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -13.577
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: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -192.102682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.102682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.108944 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.000
local terms energy: -60.103013
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -16.333
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: 32
Temperature: 0.950000
Total energy: -195.720330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.720330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.750286 (E_RNA)
where:
Base-Base interactions energy: -136.866
where: short stacking energy: -58.845
Base-Backbone interact. energy: -0.000
local terms energy: -58.884303
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -13.652
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: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -189.850246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.850246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.017535 (E_RNA)
where:
Base-Base interactions energy: -132.528
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.730
local terms energy: -56.760191
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.207
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -181.867720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.867720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.045075 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.101
local terms energy: -54.933830
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -11.593
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: 32
Temperature: 1.100000
Total energy: -175.214062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.214062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.361814 (E_RNA)
where:
Base-Base interactions energy: -122.111
where: short stacking energy: -52.384
Base-Backbone interact. energy: -0.125
local terms energy: -53.126412
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -14.595
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: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -181.605698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.605698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609661 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.290
local terms energy: -58.040717
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -16.787
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: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -181.578342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.596911 (E_RNA)
where:
Base-Base interactions energy: -125.684
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.057
local terms energy: -55.856440
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -14.416
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: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -178.580655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.580655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.610409 (E_RNA)
where:
Base-Base interactions energy: -124.532
where: short stacking energy: -55.278
Base-Backbone interact. energy: -0.004
local terms energy: -54.073627
where:
bonds (distance) C4'-P energy: -5.911
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -15.165
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: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -165.010974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.010974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.230594 (E_RNA)
where:
Base-Base interactions energy: -113.272
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.008
local terms energy: -51.951417
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.845
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -14.830
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: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -163.865742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.865742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.220704 (E_RNA)
where:
Base-Base interactions energy: -114.674
where: short stacking energy: -50.875
Base-Backbone interact. energy: -0.003
local terms energy: -49.543341
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -12.371
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: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -196.427666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.427666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.427666 (E_RNA)
where:
Base-Base interactions energy: -135.436
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.032
local terms energy: -60.959779
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -17.516
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: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -190.398544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.398544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.446013 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -51.729
Base-Backbone interact. energy: -0.211
local terms energy: -58.601848
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -12.911
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: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -187.076077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.141319 (E_RNA)
where:
Base-Base interactions energy: -127.022
where: short stacking energy: -57.551
Base-Backbone interact. energy: 0.604
local terms energy: -60.723380
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -13.568
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: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -182.334422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.334422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.334422 (E_RNA)
where:
Base-Base interactions energy: -128.636
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.006
local terms energy: -53.692557
where:
bonds (distance) C4'-P energy: -6.015
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -13.673
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: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -182.986943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.986943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.986943 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.003
local terms energy: -55.766824
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -9.145
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -176.433421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.433421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.458236 (E_RNA)
where:
Base-Base interactions energy: -124.680
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.787
local terms energy: -50.991119
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -13.092
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: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -182.887046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.887046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.921906 (E_RNA)
where:
Base-Base interactions energy: -126.860
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.215
local terms energy: -55.846777
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -15.145
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: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -172.036219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.036219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.114767 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -54.918
Base-Backbone interact. energy: -0.001
local terms energy: -49.200430
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -9.064
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -2.836
tors. eta vs tors. theta energy: -15.918
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -154.902636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.902636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.056412 (E_RNA)
where:
Base-Base interactions energy: -118.295
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.001
local terms energy: -36.760091
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -6.089
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: 5.660
tors. eta vs tors. theta energy: -12.614
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -161.357455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.357455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.388741 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.310
local terms energy: -48.910363
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -11.145
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: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -193.779582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.779582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.779582 (E_RNA)
where:
Base-Base interactions energy: -134.236
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.062
local terms energy: -59.481560
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -15.074
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: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -189.256451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.256451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.256451 (E_RNA)
where:
Base-Base interactions energy: -134.451
where: short stacking energy: -56.023
Base-Backbone interact. energy: -1.252
local terms energy: -53.553656
where:
bonds (distance) C4'-P energy: -8.649
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -13.186
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: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -185.098942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.098942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.342193 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -58.719
Base-Backbone interact. energy: 1.794
local terms energy: -58.859442
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -16.137
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: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -183.937475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.937475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.057182 (E_RNA)
where:
Base-Base interactions energy: -123.695
where: short stacking energy: -53.740
Base-Backbone interact. energy: 0.263
local terms energy: -60.624392
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -14.817
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: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -183.136625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.136625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216445 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.000
local terms energy: -61.785161
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -14.668
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: 6, replica: 3
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -185.616171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.780921 (E_RNA)
where:
Base-Base interactions energy: -125.146
where: short stacking energy: -58.466
Base-Backbone interact. energy: -0.000
local terms energy: -60.634448
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -16.847
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: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -168.898578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.898578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.138791 (E_RNA)
where:
Base-Base interactions energy: -113.125
where: short stacking energy: -46.047
Base-Backbone interact. energy: -0.031
local terms energy: -55.983370
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -12.458
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: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -166.164559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.164559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.238077 (E_RNA)
where:
Base-Base interactions energy: -114.507
where: short stacking energy: -48.156
Base-Backbone interact. energy: -0.008
local terms energy: -51.723375
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -12.224
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: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -159.105611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.105611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.106738 (E_RNA)
where:
Base-Base interactions energy: -111.817
where: short stacking energy: -43.766
Base-Backbone interact. energy: -0.905
local terms energy: -46.384756
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -6.174
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -9.436
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -173.436573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.436573 (E_RNA)
where:
Base-Base interactions energy: -119.636
where: short stacking energy: -54.881
Base-Backbone interact. energy: 1.335
local terms energy: -55.135705
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -188.486572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.486572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.503512 (E_RNA)
where:
Base-Base interactions energy: -125.859
where: short stacking energy: -59.274
Base-Backbone interact. energy: -0.077
local terms energy: -62.568054
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -14.992
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: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -188.219955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.219955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.219955 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.014
local terms energy: -58.317255
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -14.972
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: 35
Temperature: 1.000000
Total energy: -188.061169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.061169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.072353 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -51.795
Base-Backbone interact. energy: -0.440
local terms energy: -56.426384
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -12.466
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -182.260274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260274 (E_RNA)
where:
Base-Base interactions energy: -124.282
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.000
local terms energy: -57.977985
where:
bonds (distance) C4'-P energy: -6.889
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -16.621
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: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -181.093054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.093054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.096355 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.002
local terms energy: -57.175451
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -15.429
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: 35
Temperature: 1.150000
Total energy: -183.240658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.240658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533994 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.401
local terms energy: -57.666278
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -16.059
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: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -179.523500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.523500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.663016 (E_RNA)
where:
Base-Base interactions energy: -120.783
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.041
local terms energy: -58.839541
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -16.130
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: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -171.278250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.278250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.333823 (E_RNA)
where:
Base-Base interactions energy: -119.359
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.001
local terms energy: -51.973645
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.441
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -175.219452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.437257 (E_RNA)
where:
Base-Base interactions energy: -118.813
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.001
local terms energy: -56.622621
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -14.969
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -157.546758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.546758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.701228 (E_RNA)
where:
Base-Base interactions energy: -111.050
where: short stacking energy: -45.222
Base-Backbone interact. energy: 0.794
local terms energy: -47.445334
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -7.635
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -9.391
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: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -184.449565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.449565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.475214 (E_RNA)
where:
Base-Base interactions energy: -132.531
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.011
local terms energy: -51.932776
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -13.085
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: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -185.877256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.877256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.030362 (E_RNA)
where:
Base-Base interactions energy: -127.522
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.003
local terms energy: -58.505573
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -12.141
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -188.258652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.258652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.258652 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.000
local terms energy: -59.272721
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -13.616
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: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -185.703632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.703632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.733693 (E_RNA)
where:
Base-Base interactions energy: -129.365
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.007
local terms energy: -56.361006
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -14.170
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -178.588779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.588779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.647085 (E_RNA)
where:
Base-Base interactions energy: -128.969
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.003
local terms energy: -49.674279
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -12.339
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: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -189.466083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.466083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.488891 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.015
local terms energy: -56.764833
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -15.849
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: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -164.592317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.592317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.752111 (E_RNA)
where:
Base-Base interactions energy: -112.453
where: short stacking energy: -49.995
Base-Backbone interact. energy: -0.175
local terms energy: -52.124116
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -12.231
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: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -170.335847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.335847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.335847 (E_RNA)
where:
Base-Base interactions energy: -122.026
where: short stacking energy: -52.091
Base-Backbone interact. energy: -0.000
local terms energy: -48.309474
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -165.412837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.412837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.488145 (E_RNA)
where:
Base-Base interactions energy: -118.039
where: short stacking energy: -52.138
Base-Backbone interact. energy: 0.622
local terms energy: -48.071067
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -12.354
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: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -162.066476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.066476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.071044 (E_RNA)
where:
Base-Base interactions energy: -114.685
where: short stacking energy: -50.803
Base-Backbone interact. energy: -0.001
local terms energy: -47.384837
where:
bonds (distance) C4'-P energy: -6.130
bonds (distance) P-C4' energy: -7.907
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -13.028
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: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -188.959772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.959772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.189282 (E_RNA)
where:
Base-Base interactions energy: -129.773
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.028
local terms energy: -59.388207
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -15.147
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: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -188.861259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.861259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.861259 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.003
local terms energy: -58.637364
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -16.663
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: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -182.034602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.034602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.048698 (E_RNA)
where:
Base-Base interactions energy: -125.433
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.562
local terms energy: -56.053288
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -16.176
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: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -184.937933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.937933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.951136 (E_RNA)
where:
Base-Base interactions energy: -123.377
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.310
local terms energy: -61.264718
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.618
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: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -188.581908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.581908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.708534 (E_RNA)
where:
Base-Base interactions energy: -130.316
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.016
local terms energy: -58.376836
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.549
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -174.712469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.712469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.801980 (E_RNA)
where:
Base-Base interactions energy: -122.734
where: short stacking energy: -55.548
Base-Backbone interact. energy: -0.002
local terms energy: -52.065676
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -10.525
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: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -175.249488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.249488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.249488 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -52.994
Base-Backbone interact. energy: -0.097
local terms energy: -52.526032
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -181.326781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.336188 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -51.122
Base-Backbone interact. energy: 0.540
local terms energy: -52.201187
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -9.781
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -168.430580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.430580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.430580 (E_RNA)
where:
Base-Base interactions energy: -122.838
where: short stacking energy: -47.390
Base-Backbone interact. energy: -0.004
local terms energy: -45.588251
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -6.756
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -161.931613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.931613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.262859 (E_RNA)
where:
Base-Base interactions energy: -116.027
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.045
local terms energy: -46.190766
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -7.042
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -10.246
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: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -195.444662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.444662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.444662 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.002
local terms energy: -61.124918
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -13.359
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: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -192.797966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.797966 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -49.537
Base-Backbone interact. energy: 0.586
local terms energy: -55.165369
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.243
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: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -187.143548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.185155 (E_RNA)
where:
Base-Base interactions energy: -127.474
where: short stacking energy: -48.319
Base-Backbone interact. energy: -0.055
local terms energy: -59.656310
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -12.828
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: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -181.390020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.390020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.511710 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.008
local terms energy: -56.518102
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -15.760
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: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -191.817468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.865202 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.024
local terms energy: -61.519014
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -15.543
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: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -178.360879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.883122 (E_RNA)
where:
Base-Base interactions energy: -124.249
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.001
local terms energy: -54.632865
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -11.857
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: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -179.964240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.964240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.997214 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.079
local terms energy: -53.091761
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -10.874
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -172.282581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.282581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.356905 (E_RNA)
where:
Base-Base interactions energy: -122.048
where: short stacking energy: -54.915
Base-Backbone interact. energy: 1.858
local terms energy: -52.166565
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -13.238
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: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -164.763392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.763392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.770151 (E_RNA)
where:
Base-Base interactions energy: -112.850
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.015
local terms energy: -51.905469
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -10.979
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: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -166.830912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.830912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.835316 (E_RNA)
where:
Base-Base interactions energy: -116.846
where: short stacking energy: -50.454
Base-Backbone interact. energy: -0.003
local terms energy: -49.986352
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -8.278
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: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -186.113125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.113125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.275920 (E_RNA)
where:
Base-Base interactions energy: -124.819
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.011
local terms energy: -61.445331
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -14.614
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: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -188.945213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.945213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.014265 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.003
local terms energy: -62.044374
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.181
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -179.782357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.782357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.786052 (E_RNA)
where:
Base-Base interactions energy: -133.213
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.005
local terms energy: -46.567159
where:
bonds (distance) C4'-P energy: -6.695
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -10.708
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: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -185.587799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.587799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.679435 (E_RNA)
where:
Base-Base interactions energy: -126.124
where: short stacking energy: -57.313
Base-Backbone interact. energy: 0.683
local terms energy: -60.238447
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -15.361
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: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -179.758349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.758349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775790 (E_RNA)
where:
Base-Base interactions energy: -124.245
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.004
local terms energy: -55.526925
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -8.516
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -16.056
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: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -177.636951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.636951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.695227 (E_RNA)
where:
Base-Base interactions energy: -124.425
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.004
local terms energy: -53.266039
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -4.809
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -15.726
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -171.482043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.482043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.618791 (E_RNA)
where:
Base-Base interactions energy: -115.329
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.056
local terms energy: -56.233744
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -12.044
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: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -167.177126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.177126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.210986 (E_RNA)
where:
Base-Base interactions energy: -115.425
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.002
local terms energy: -51.784109
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -12.041
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: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -168.982715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.982715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.113922 (E_RNA)
where:
Base-Base interactions energy: -115.639
where: short stacking energy: -49.793
Base-Backbone interact. energy: -0.001
local terms energy: -53.473305
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -11.044
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: 39
Temperature: 1.350000
Total energy: -162.721329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.721329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.046213 (E_RNA)
where:
Base-Base interactions energy: -113.622
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.794
local terms energy: -48.630030
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -11.933
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: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -199.797551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.797551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800572 (E_RNA)
where:
Base-Base interactions energy: -133.714
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.001
local terms energy: -66.085561
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -15.867
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: 40
Temperature: 0.950000
Total energy: -190.479288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.479288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633046 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.012
local terms energy: -57.520883
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -17.719
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: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -182.684650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.684650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.684650 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.011
local terms energy: -55.795717
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -11.080
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: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -177.573956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.573956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.640938 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.001
local terms energy: -55.890482
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -10.735
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -180.387471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.387471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.387471 (E_RNA)
where:
Base-Base interactions energy: -122.347
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.000
local terms energy: -58.040478
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -176.899963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.899963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.041499 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.021
local terms energy: -53.347430
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -13.081
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: 40
Temperature: 1.200000
Total energy: -168.421382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.421382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.455060 (E_RNA)
where:
Base-Base interactions energy: -116.351
where: short stacking energy: -52.700
Base-Backbone interact. energy: -0.003
local terms energy: -52.100695
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -13.020
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: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -171.466039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.466039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.506080 (E_RNA)
where:
Base-Base interactions energy: -122.447
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.014
local terms energy: -49.044592
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -11.140
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: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -169.149609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.149609 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.007
local terms energy: -48.862071
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -169.076586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.076586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.198349 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -54.391
Base-Backbone interact. energy: 1.714
local terms energy: -53.255696
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -14.291
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: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -194.117944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.250011 (E_RNA)
where:
Base-Base interactions energy: -132.574
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.001
local terms energy: -61.675832
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -17.390
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: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -188.450894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.450894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.771311 (E_RNA)
where:
Base-Base interactions energy: -132.936
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.018
local terms energy: -55.817036
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -6.589
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -14.760
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: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -184.916566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.916566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.947392 (E_RNA)
where:
Base-Base interactions energy: -128.272
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.017
local terms energy: -56.658521
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -15.770
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: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -182.403437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.403437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.407332 (E_RNA)
where:
Base-Base interactions energy: -126.083
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.123
local terms energy: -56.201456
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -12.788
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: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -169.580182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.580182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.580182 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.001
local terms energy: -49.979592
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -178.461326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.461326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497996 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -52.919
Base-Backbone interact. energy: -0.617
local terms energy: -56.594823
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -14.768
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: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -181.085193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.085193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.198981 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.246
local terms energy: -53.483925
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -7.074
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -15.209
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -166.531976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.531976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.553237 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.241
local terms energy: -50.739057
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -9.307
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -167.973257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.973257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.986159 (E_RNA)
where:
Base-Base interactions energy: -119.081
where: short stacking energy: -49.712
Base-Backbone interact. energy: -0.005
local terms energy: -48.900331
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -14.511
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: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -166.040714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.040714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.057872 (E_RNA)
where:
Base-Base interactions energy: -112.972
where: short stacking energy: -43.734
Base-Backbone interact. energy: -0.153
local terms energy: -52.932832
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -9.678
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: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -193.030133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.030133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.084676 (E_RNA)
where:
Base-Base interactions energy: -134.778
where: short stacking energy: -65.587
Base-Backbone interact. energy: 0.090
local terms energy: -58.396984
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -15.566
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: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -183.871832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.871832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.910831 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -58.438
Base-Backbone interact. energy: -0.002
local terms energy: -58.583091
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -16.390
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: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -186.079806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.079806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.079806 (E_RNA)
where:
Base-Base interactions energy: -124.320
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.051
local terms energy: -61.709304
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -13.771
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -182.667814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.667814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.856954 (E_RNA)
where:
Base-Base interactions energy: -123.453
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.589
local terms energy: -58.814355
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -13.072
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: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -179.603925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.603925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.791594 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.029
local terms energy: -54.713937
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -16.294
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: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -184.701883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.701883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.760386 (E_RNA)
where:
Base-Base interactions energy: -125.166
where: short stacking energy: -55.864
Base-Backbone interact. energy: -0.004
local terms energy: -59.589642
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -13.860
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: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -178.816254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.816254 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.007
local terms energy: -52.947141
where:
bonds (distance) C4'-P energy: -7.091
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -172.992731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.992731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.992731 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.078
local terms energy: -52.843044
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -170.621555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.621555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.623747 (E_RNA)
where:
Base-Base interactions energy: -113.948
where: short stacking energy: -45.997
Base-Backbone interact. energy: -0.045
local terms energy: -56.630801
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -168.389603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.389603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.471286 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -53.063
Base-Backbone interact. energy: 0.459
local terms energy: -46.476751
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -10.664
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: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -193.151806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.151806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.159475 (E_RNA)
where:
Base-Base interactions energy: -129.811
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.030
local terms energy: -63.318679
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -15.137
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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -184.769092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.769092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.771999 (E_RNA)
where:
Base-Base interactions energy: -132.021
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.122
local terms energy: -52.628887
where:
bonds (distance) C4'-P energy: -5.811
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -15.941
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -175.547384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.547384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.571423 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.345
local terms energy: -50.223371
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -9.713
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: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -184.644493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.727098 (E_RNA)
where:
Base-Base interactions energy: -122.573
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.001
local terms energy: -62.153094
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -13.432
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: 43
Temperature: 1.100000
Total energy: -174.640706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.640706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.682424 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.002
local terms energy: -54.501786
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -12.851
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: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -173.533622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.533622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.613193 (E_RNA)
where:
Base-Base interactions energy: -119.859
where: short stacking energy: -52.899
Base-Backbone interact. energy: -0.003
local terms energy: -53.751477
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.547
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: 43
Temperature: 1.200000
Total energy: -176.532128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.532128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.556484 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -58.244
Base-Backbone interact. energy: -0.040
local terms energy: -53.308394
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.627
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: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -168.409251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.409251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.573650 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -55.851
Base-Backbone interact. energy: -0.000
local terms energy: -43.825673
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -3.573
flat angles C4'-P-C4' energy: -5.732
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -16.543
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: 43
Temperature: 1.300000
Total energy: -163.158683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.158683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.158683 (E_RNA)
where:
Base-Base interactions energy: -108.869
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.002
local terms energy: -54.288172
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -169.671785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.671785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.763322 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -52.359
Base-Backbone interact. energy: -0.043
local terms energy: -52.739557
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -7.663
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.602
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: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -193.845742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.845742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.852446 (E_RNA)
where:
Base-Base interactions energy: -132.153
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.030
local terms energy: -61.669807
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -17.006
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -195.548415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.548415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.565409 (E_RNA)
where:
Base-Base interactions energy: -134.023
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.033
local terms energy: -61.508759
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -15.064
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: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -183.764847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.764847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.764847 (E_RNA)
where:
Base-Base interactions energy: -130.829
where: short stacking energy: -57.601
Base-Backbone interact. energy: 1.833
local terms energy: -54.769309
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -12.955
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -182.158831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.158831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.165051 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -52.304
Base-Backbone interact. energy: -0.091
local terms energy: -60.332374
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -13.828
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -181.195483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.195483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.232367 (E_RNA)
where:
Base-Base interactions energy: -130.897
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.001
local terms energy: -50.335084
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -6.933
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -14.573
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -181.092222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.092222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.111898 (E_RNA)
where:
Base-Base interactions energy: -123.445
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.071
local terms energy: -57.595855
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.020 (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: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -175.576529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.576529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.656910 (E_RNA)
where:
Base-Base interactions energy: -121.525
where: short stacking energy: -51.547
Base-Backbone interact. energy: -0.024
local terms energy: -54.108355
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -7.639
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -12.800
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -168.477719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.477719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.488881 (E_RNA)
where:
Base-Base interactions energy: -118.025
where: short stacking energy: -46.364
Base-Backbone interact. energy: -0.033
local terms energy: -50.430678
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -12.353
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: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -161.992757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.992757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.120135 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.126
local terms energy: -46.441125
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -7.669
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -7.596
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -167.063045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.063045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.225801 (E_RNA)
where:
Base-Base interactions energy: -116.607
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.001
local terms energy: -50.617251
where:
bonds (distance) C4'-P energy: -4.381
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -15.764
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: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -195.894642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.894642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.195589 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -62.516
Base-Backbone interact. energy: -0.000
local terms energy: -64.339297
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -15.342
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: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -184.991325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.036441 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.013
local terms energy: -59.835571
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -15.746
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: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -184.946102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.946102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990549 (E_RNA)
where:
Base-Base interactions energy: -132.403
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.363
local terms energy: -52.224140
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -11.420
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: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -178.018932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.018932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.036392 (E_RNA)
where:
Base-Base interactions energy: -118.919
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.001
local terms energy: -59.116696
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -14.930
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -183.797850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.797850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.852269 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.593
local terms energy: -51.868383
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -12.016
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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -175.424704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603988 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.013
local terms energy: -57.831405
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -14.487
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: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -173.887669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.887669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.950633 (E_RNA)
where:
Base-Base interactions energy: -124.062
where: short stacking energy: -46.922
Base-Backbone interact. energy: -0.078
local terms energy: -49.810519
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -10.494
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: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -173.377315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.377315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.377315 (E_RNA)
where:
Base-Base interactions energy: -123.689
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.166
local terms energy: -49.521661
where:
bonds (distance) C4'-P energy: -5.125
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -164.270091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.270091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.325378 (E_RNA)
where:
Base-Base interactions energy: -108.165
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.000
local terms energy: -56.159820
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -13.789
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: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -161.488428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.488428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.508357 (E_RNA)
where:
Base-Base interactions energy: -114.426
where: short stacking energy: -48.808
Base-Backbone interact. energy: -0.001
local terms energy: -47.081328
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.020 (S_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: 46
Temperature: 0.900000
Total energy: -184.847521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.847521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883775 (E_RNA)
where:
Base-Base interactions energy: -126.264
where: short stacking energy: -51.855
Base-Backbone interact. energy: -0.104
local terms energy: -58.515872
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -12.193
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: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -188.928711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.928711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.991000 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.072
local terms energy: -61.867764
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -15.881
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: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -185.534559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.534559 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.009
local terms energy: -56.706887
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -15.305
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -174.654346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.654346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.654346 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.026
local terms energy: -50.954920
where:
bonds (distance) C4'-P energy: -7.531
bonds (distance) P-C4' energy: -9.246
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -10.171
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: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -176.482030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.482030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.524448 (E_RNA)
where:
Base-Base interactions energy: -122.013
where: short stacking energy: -58.049
Base-Backbone interact. energy: 1.815
local terms energy: -56.326848
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -12.817
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: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -177.662535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.662535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.712484 (E_RNA)
where:
Base-Base interactions energy: -124.534
where: short stacking energy: -48.999
Base-Backbone interact. energy: -0.073
local terms energy: -53.105545
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -10.603
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: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -176.000979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.135981 (E_RNA)
where:
Base-Base interactions energy: -119.526
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.009
local terms energy: -56.600671
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -13.504
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: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -172.680849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.680849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.852243 (E_RNA)
where:
Base-Base interactions energy: -118.641
where: short stacking energy: -50.310
Base-Backbone interact. energy: -0.191
local terms energy: -54.020514
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -13.518
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: 46
Temperature: 1.300000
Total energy: -164.625760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.807668 (E_RNA)
where:
Base-Base interactions energy: -115.678
where: short stacking energy: -49.707
Base-Backbone interact. energy: 0.630
local terms energy: -49.758967
where:
bonds (distance) C4'-P energy: -8.317
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -12.538
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: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -170.138130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.357771 (E_RNA)
where:
Base-Base interactions energy: -119.315
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.100
local terms energy: -50.943199
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -15.752
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: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -193.295591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.295591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299641 (E_RNA)
where:
Base-Base interactions energy: -132.660
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.179
local terms energy: -60.460795
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -13.753
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: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -189.414515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.414515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.587576 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.002
local terms energy: -62.573470
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -16.710
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: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -185.458829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.458829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.665783 (E_RNA)
where:
Base-Base interactions energy: -125.738
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.002
local terms energy: -59.926362
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -16.931
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: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -196.964950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.964950 (E_RNA)
where:
Base-Base interactions energy: -133.256
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.002
local terms energy: -63.706958
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -15.877
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -185.094989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.094989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.166108 (E_RNA)
where:
Base-Base interactions energy: -123.880
where: short stacking energy: -55.009
Base-Backbone interact. energy: -0.006
local terms energy: -61.280765
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -14.354
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: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -178.942001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.942001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.951760 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.011
local terms energy: -54.027247
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -12.205
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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -180.411114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.411114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455989 (E_RNA)
where:
Base-Base interactions energy: -122.616
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.000
local terms energy: -57.840373
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -17.298
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -177.967150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.967150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.968216 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.006
local terms energy: -57.343648
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -15.213
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: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -165.577697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.988822 (E_RNA)
where:
Base-Base interactions energy: -120.614
where: short stacking energy: -52.186
Base-Backbone interact. energy: -0.100
local terms energy: -45.275378
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -12.318
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -162.203256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.203256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.209293 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.152
local terms energy: -51.950900
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -10.739
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -196.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.145652 (E_RNA)
where:
Base-Base interactions energy: -131.139
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.001
local terms energy: -65.006096
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -16.662
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -191.194741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.194741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199961 (E_RNA)
where:
Base-Base interactions energy: -129.923
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.061
local terms energy: -61.215516
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.368
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: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -186.577375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.577375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.591399 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.104
local terms energy: -57.556202
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -15.203
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: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -191.182739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.182739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.188240 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.002
local terms energy: -62.336820
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -14.872
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: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -180.826594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.826594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.878772 (E_RNA)
where:
Base-Base interactions energy: -124.742
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.010
local terms energy: -56.127398
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -7.760
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -12.977
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: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -183.426010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.561246 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.001
local terms energy: -58.514097
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -7.066
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -13.689
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -174.751775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.751775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.751775 (E_RNA)
where:
Base-Base interactions energy: -119.587
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.021
local terms energy: -55.144020
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -171.081293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.081293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.105507 (E_RNA)
where:
Base-Base interactions energy: -123.380
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.002
local terms energy: -47.722942
where:
bonds (distance) C4'-P energy: -4.393
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -12.478
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -159.004816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.004816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.008784 (E_RNA)
where:
Base-Base interactions energy: -109.150
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.289
local terms energy: -49.570183
where:
bonds (distance) C4'-P energy: -7.100
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -13.726
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: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -168.600479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.738801 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.084
local terms energy: -51.603043
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -10.734
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: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -188.803923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.803923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.826345 (E_RNA)
where:
Base-Base interactions energy: -126.454
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.007
local terms energy: -62.365798
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.364
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: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -188.101858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.101858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.101858 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.004
local terms energy: -61.156801
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -15.570
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -186.609416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.609416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.003639 (E_RNA)
where:
Base-Base interactions energy: -125.355
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.084
local terms energy: -61.564697
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -15.308
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: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -191.142770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.142770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236728 (E_RNA)
where:
Base-Base interactions energy: -130.534
where: short stacking energy: -63.011
Base-Backbone interact. energy: 0.079
local terms energy: -60.782037
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -15.645
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: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -185.501362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.501362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.510600 (E_RNA)
where:
Base-Base interactions energy: -131.479
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.024
local terms energy: -54.007582
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -14.909
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: 49
Temperature: 1.150000
Total energy: -180.182983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.182983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236902 (E_RNA)
where:
Base-Base interactions energy: -122.693
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.114
local terms energy: -57.429534
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -13.073
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: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -177.333312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.333312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.453007 (E_RNA)
where:
Base-Base interactions energy: -116.625
where: short stacking energy: -51.852
Base-Backbone interact. energy: -0.346
local terms energy: -60.482246
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -13.472
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -172.096517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.096517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.249667 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -51.471
Base-Backbone interact. energy: -0.000
local terms energy: -55.241446
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -15.384
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -169.807949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.956923 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.008
local terms energy: -52.040746
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -6.841
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -12.992
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: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -160.687476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.687476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.979272 (E_RNA)
where:
Base-Base interactions energy: -109.433
where: short stacking energy: -46.033
Base-Backbone interact. energy: -0.001
local terms energy: -51.545344
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -11.746
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: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -188.973179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.973179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.050368 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -60.119
Base-Backbone interact. energy: 0.062
local terms energy: -63.904181
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -14.670
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: 50
Temperature: 0.950000
Total energy: -186.565268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.614470 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.043
local terms energy: -57.281322
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -10.639
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: 50
Temperature: 1.000000
Total energy: -184.036445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.036445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.233923 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.008
local terms energy: -60.089586
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -16.507
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: 50
Temperature: 1.050000
Total energy: -182.336809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.336809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.336809 (E_RNA)
where:
Base-Base interactions energy: -123.017
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.091
local terms energy: -59.228439
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.341
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: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -179.908301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908301 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.020
local terms energy: -57.384511
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -11.212
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -178.660420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.710402 (E_RNA)
where:
Base-Base interactions energy: -124.845
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.038
local terms energy: -53.827335
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -12.860
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -183.039289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.039289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.294396 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.002
local terms energy: -54.359645
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -15.592
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: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -183.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.937301 (E_RNA)
where:
Base-Base interactions energy: -125.562
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.000
local terms energy: -58.374945
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -13.628
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -163.519091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.519091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.601375 (E_RNA)
where:
Base-Base interactions energy: -113.623
where: short stacking energy: -49.991
Base-Backbone interact. energy: -1.563
local terms energy: -48.414906
where:
bonds (distance) C4'-P energy: -8.764
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -10.418
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: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -162.139187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.139187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.296140 (E_RNA)
where:
Base-Base interactions energy: -115.223
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.502
local terms energy: -46.571679
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -4.666
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -12.323
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -190.569610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.569610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.579892 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.465
local terms energy: -61.831251
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -12.911
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -191.338357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355779 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.007
local terms energy: -61.452376
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -14.672
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -196.845511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.845511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.845511 (E_RNA)
where:
Base-Base interactions energy: -140.782
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.985
local terms energy: -55.078688
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.281
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: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -189.095158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.095158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.253453 (E_RNA)
where:
Base-Base interactions energy: -126.547
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.028
local terms energy: -62.678051
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -15.362
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: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -169.171135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.171135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.257674 (E_RNA)
where:
Base-Base interactions energy: -115.502
where: short stacking energy: -48.151
Base-Backbone interact. energy: -0.004
local terms energy: -53.752321
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -13.119
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: 51
Temperature: 1.150000
Total energy: -173.956120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.026635 (E_RNA)
where:
Base-Base interactions energy: -120.971
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.003
local terms energy: -53.052741
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -15.937
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: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -172.158291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.158291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.220584 (E_RNA)
where:
Base-Base interactions energy: -117.968
where: short stacking energy: -45.166
Base-Backbone interact. energy: -0.299
local terms energy: -53.953774
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -12.747
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: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -164.572009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.602066 (E_RNA)
where:
Base-Base interactions energy: -118.254
where: short stacking energy: -50.754
Base-Backbone interact. energy: -0.061
local terms energy: -46.287835
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -8.713
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -169.385716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.385716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.761309 (E_RNA)
where:
Base-Base interactions energy: -116.593
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.001
local terms energy: -53.167574
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -14.034
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: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -158.616362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.616362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616362 (E_RNA)
where:
Base-Base interactions energy: -111.692
where: short stacking energy: -40.879
Base-Backbone interact. energy: -0.004
local terms energy: -46.920935
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -193.503123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.503123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.639196 (E_RNA)
where:
Base-Base interactions energy: -129.852
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.638
local terms energy: -63.149799
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.866
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: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -191.549897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.584085 (E_RNA)
where:
Base-Base interactions energy: -131.476
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.891
local terms energy: -59.217466
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -14.486
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: 52
Temperature: 1.000000
Total energy: -188.731040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.731040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.756792 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.436
local terms energy: -57.772445
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.218
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: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -193.059545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.059545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.059545 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -49.024
Base-Backbone interact. energy: -0.630
local terms energy: -60.198502
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -11.929
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: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -184.165038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.165038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.165038 (E_RNA)
where:
Base-Base interactions energy: -121.725
where: short stacking energy: -52.307
Base-Backbone interact. energy: -0.774
local terms energy: -61.666316
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -174.045866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.045866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.045866 (E_RNA)
where:
Base-Base interactions energy: -117.537
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.485
local terms energy: -56.023494
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -12.476
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -182.099816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.099816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.291156 (E_RNA)
where:
Base-Base interactions energy: -121.496
where: short stacking energy: -54.774
Base-Backbone interact. energy: -0.023
local terms energy: -60.772404
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.143
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: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -163.548652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548652 (E_RNA)
where:
Base-Base interactions energy: -110.324
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.000
local terms energy: -53.224379
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -170.287319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.287319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.300917 (E_RNA)
where:
Base-Base interactions energy: -117.640
where: short stacking energy: -51.787
Base-Backbone interact. energy: -0.042
local terms energy: -52.618705
where:
bonds (distance) C4'-P energy: -4.936
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -11.519
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: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -171.636359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.636359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.714313 (E_RNA)
where:
Base-Base interactions energy: -122.701
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.207
local terms energy: -48.806727
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -6.272
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -13.548
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: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -192.024939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.024939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.034446 (E_RNA)
where:
Base-Base interactions energy: -129.690
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.016
local terms energy: -62.329222
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.699
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: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -194.123745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.123745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.159194 (E_RNA)
where:
Base-Base interactions energy: -130.369
where: short stacking energy: -60.874
Base-Backbone interact. energy: -0.009
local terms energy: -63.780886
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.440
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -187.131439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.131439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.208084 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.074
local terms energy: -63.291296
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -13.340
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: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -184.635256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.735696 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.002
local terms energy: -55.715397
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -16.262
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -170.571865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.571865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.625354 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -48.968
Base-Backbone interact. energy: -0.183
local terms energy: -46.307512
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -13.036
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -175.230455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.230455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.300525 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.004
local terms energy: -56.878643
where:
bonds (distance) C4'-P energy: -7.949
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -14.716
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: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -164.536802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.536802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.772517 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.162
local terms energy: -46.564302
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -7.558
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -8.607
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: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -171.285274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.285274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.293830 (E_RNA)
where:
Base-Base interactions energy: -120.339
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.016
local terms energy: -50.939236
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -10.706
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -172.963621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.963621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.625742 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.229
local terms energy: -61.202282
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -16.138
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: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -170.736022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.736022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.787250 (E_RNA)
where:
Base-Base interactions energy: -115.008
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.005
local terms energy: -55.775137
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -9.295
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: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -196.890773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.890773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.937405 (E_RNA)
where:
Base-Base interactions energy: -128.923
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.015
local terms energy: -67.999444
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -17.810
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -189.420320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.420320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491703 (E_RNA)
where:
Base-Base interactions energy: -126.820
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.001
local terms energy: -62.670989
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -15.251
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: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -183.738576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.738576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.769221 (E_RNA)
where:
Base-Base interactions energy: -128.521
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.114
local terms energy: -55.134465
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -12.517
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: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -187.939280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.939280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977282 (E_RNA)
where:
Base-Base interactions energy: -126.133
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.013
local terms energy: -61.830840
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -12.565
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: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -175.641521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.641521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826837 (E_RNA)
where:
Base-Base interactions energy: -129.090
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.351
local terms energy: -46.386525
where:
bonds (distance) C4'-P energy: -4.772
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -10.703
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -182.851524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.851524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.860935 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.091
local terms energy: -57.149822
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -15.777
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -173.339406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.339406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.380411 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.051
local terms energy: -51.618106
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -11.515
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: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -164.978460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.978460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.978460 (E_RNA)
where:
Base-Base interactions energy: -115.295
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.004
local terms energy: -49.679472
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -8.566
flat angles C4'-P-C4' energy: -7.166
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -14.609
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -167.232995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.232995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.391386 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.000
local terms energy: -54.631564
where:
bonds (distance) C4'-P energy: -9.555
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -11.985
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -159.082188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.082188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.191106 (E_RNA)
where:
Base-Base interactions energy: -108.836
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.096
local terms energy: -50.258795
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -10.395
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: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -192.860392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.011347 (E_RNA)
where:
Base-Base interactions energy: -130.918
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.011
local terms energy: -62.082532
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -17.287
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -187.607499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.661444 (E_RNA)
where:
Base-Base interactions energy: -126.061
where: short stacking energy: -52.215
Base-Backbone interact. energy: -0.081
local terms energy: -61.519969
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -14.433
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: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -186.091454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.091454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.277098 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.034
local terms energy: -58.389927
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.058
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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -192.033954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033954 (E_RNA)
where:
Base-Base interactions energy: -138.389
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.491
local terms energy: -53.154632
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -14.315
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -176.270042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.270042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.544787 (E_RNA)
where:
Base-Base interactions energy: -120.433
where: short stacking energy: -53.056
Base-Backbone interact. energy: -0.000
local terms energy: -56.111783
where:
bonds (distance) C4'-P energy: -6.144
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -15.358
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -181.509055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.509055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.509055 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.001
local terms energy: -57.523115
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -16.053
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: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -171.821955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.821955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.960982 (E_RNA)
where:
Base-Base interactions energy: -119.670
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.000
local terms energy: -52.291079
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -12.122
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -179.284853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.284853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.341561 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -47.831
Base-Backbone interact. energy: -0.002
local terms energy: -62.401101
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -14.549
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: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -177.813454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.813454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.968164 (E_RNA)
where:
Base-Base interactions energy: -127.285
where: short stacking energy: -60.504
Base-Backbone interact. energy: 0.495
local terms energy: -51.177704
where:
bonds (distance) C4'-P energy: -5.328
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.205
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -170.393519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.393519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.398158 (E_RNA)
where:
Base-Base interactions energy: -115.456
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.908
local terms energy: -54.034281
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -9.518
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: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -190.066444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.066444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.074430 (E_RNA)
where:
Base-Base interactions energy: -128.129
where: short stacking energy: -56.406
Base-Backbone interact. energy: -0.000
local terms energy: -61.945047
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -15.022
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: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -183.310584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.310584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.310584 (E_RNA)
where:
Base-Base interactions energy: -128.629
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.238
local terms energy: -54.443503
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -13.903
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: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -192.239085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.239085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304266 (E_RNA)
where:
Base-Base interactions energy: -130.005
where: short stacking energy: -52.210
Base-Backbone interact. energy: -1.360
local terms energy: -60.939307
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -13.195
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: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -189.126741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.126741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.126741 (E_RNA)
where:
Base-Base interactions energy: -128.682
where: short stacking energy: -55.022
Base-Backbone interact. energy: -0.001
local terms energy: -60.444496
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -181.160977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192727 (E_RNA)
where:
Base-Base interactions energy: -127.488
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.547
local terms energy: -53.158251
where:
bonds (distance) C4'-P energy: -7.838
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -10.008
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: 56
Temperature: 1.150000
Total energy: -176.989961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.989961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.989961 (E_RNA)
where:
Base-Base interactions energy: -116.839
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.007
local terms energy: -60.143895
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -16.100
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -183.243301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.419179 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.004
local terms energy: -54.849865
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.931
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: 2
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -179.628774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.628774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.650373 (E_RNA)
where:
Base-Base interactions energy: -119.820
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.126
local terms energy: -59.704801
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -15.535
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -177.247042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.247042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.359996 (E_RNA)
where:
Base-Base interactions energy: -122.756
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.170
local terms energy: -54.434842
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -15.764
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: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -163.726448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.726448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.871896 (E_RNA)
where:
Base-Base interactions energy: -117.822
where: short stacking energy: -46.475
Base-Backbone interact. energy: -1.596
local terms energy: -44.453097
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -10.549
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: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -195.516998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.516998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.527645 (E_RNA)
where:
Base-Base interactions energy: -135.552
where: short stacking energy: -62.972
Base-Backbone interact. energy: -0.042
local terms energy: -59.933104
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -16.721
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: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -192.297162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.297162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.297162 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.469
local terms energy: -59.160750
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -13.665
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -196.256337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.256337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.256337 (E_RNA)
where:
Base-Base interactions energy: -132.400
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.004
local terms energy: -63.851789
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -16.680
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -175.414060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.414060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.464808 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.131
local terms energy: -58.081186
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -11.969
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: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -188.132087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.132087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203238 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -60.594
Base-Backbone interact. energy: 1.660
local terms energy: -60.128295
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -14.704
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: 57
Temperature: 1.150000
Total energy: -177.322373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.322373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.355396 (E_RNA)
where:
Base-Base interactions energy: -122.469
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.371
local terms energy: -54.515935
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -15.220
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: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -177.825106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.825106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.883430 (E_RNA)
where:
Base-Base interactions energy: -122.664
where: short stacking energy: -55.875
Base-Backbone interact. energy: -0.001
local terms energy: -55.219124
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.305
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -173.366462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.366462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.556116 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -52.596
Base-Backbone interact. energy: -0.127
local terms energy: -52.479522
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -12.560
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: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -172.209259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.209259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.239542 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.006
local terms energy: -52.638979
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -15.397
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: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -163.380129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.380129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.530190 (E_RNA)
where:
Base-Base interactions energy: -116.080
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.079
local terms energy: -47.370960
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -11.607
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -193.897726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.956289 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -53.404
Base-Backbone interact. energy: -0.390
local terms energy: -55.116919
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -7.121
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -13.222
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: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -191.035274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.035274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.138837 (E_RNA)
where:
Base-Base interactions energy: -128.569
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.001
local terms energy: -62.568449
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.390
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: 58
Temperature: 1.000000
Total energy: -184.068650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.068650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.121764 (E_RNA)
where:
Base-Base interactions energy: -127.263
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.020
local terms energy: -56.838161
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -14.059
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: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -186.679939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.679939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.693040 (E_RNA)
where:
Base-Base interactions energy: -129.505
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.063
local terms energy: -57.125000
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -8.991
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -14.856
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: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -178.241361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.241361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.265866 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -49.056
Base-Backbone interact. energy: -0.018
local terms energy: -51.521045
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -10.907
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: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -184.203733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.203733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264303 (E_RNA)
where:
Base-Base interactions energy: -132.959
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.015
local terms energy: -51.290481
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -4.684
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -15.862
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -169.311293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.311293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.359926 (E_RNA)
where:
Base-Base interactions energy: -114.758
where: short stacking energy: -50.737
Base-Backbone interact. energy: -0.112
local terms energy: -54.490395
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -13.533
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -170.431877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.431877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.530796 (E_RNA)
where:
Base-Base interactions energy: -115.619
where: short stacking energy: -53.048
Base-Backbone interact. energy: -0.455
local terms energy: -54.456787
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.547
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: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -171.001649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.001649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.185470 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -52.615
Base-Backbone interact. energy: -0.089
local terms energy: -49.180990
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -10.382
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -163.107120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.107120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.157885 (E_RNA)
where:
Base-Base interactions energy: -112.871
where: short stacking energy: -46.356
Base-Backbone interact. energy: -0.021
local terms energy: -50.265988
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -10.550
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: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -191.208104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.208104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226438 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.613
local terms energy: -57.332875
where:
bonds (distance) C4'-P energy: -8.006
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -11.714
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -188.155641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.155641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.267108 (E_RNA)
where:
Base-Base interactions energy: -132.695
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.000
local terms energy: -55.572334
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -14.180
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: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -186.727632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.730193 (E_RNA)
where:
Base-Base interactions energy: -130.702
where: short stacking energy: -57.559
Base-Backbone interact. energy: -0.008
local terms energy: -56.020789
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -11.667
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: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -177.038941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.038941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.104286 (E_RNA)
where:
Base-Base interactions energy: -121.200
where: short stacking energy: -52.456
Base-Backbone interact. energy: -0.049
local terms energy: -55.855597
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -11.011
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: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -182.972969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.972969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.175283 (E_RNA)
where:
Base-Base interactions energy: -125.397
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.001
local terms energy: -57.777570
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -14.009
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: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -184.483241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.548016 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.092
local terms energy: -58.959955
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -15.167
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -187.287088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.287088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.339966 (E_RNA)
where:
Base-Base interactions energy: -127.929
where: short stacking energy: -54.769
Base-Backbone interact. energy: -0.001
local terms energy: -59.410467
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -14.864
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: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -178.147283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.147283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152304 (E_RNA)
where:
Base-Base interactions energy: -127.066
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.011
local terms energy: -51.075720
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -10.982
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -164.918591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.918591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.955969 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.008
local terms energy: -49.468995
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -9.729
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -165.923626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.923626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.952727 (E_RNA)
where:
Base-Base interactions energy: -110.111
where: short stacking energy: -42.359
Base-Backbone interact. energy: -0.301
local terms energy: -55.540578
where:
bonds (distance) C4'-P energy: -5.473
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -14.721
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: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -193.296258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.296258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.349394 (E_RNA)
where:
Base-Base interactions energy: -131.862
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.061
local terms energy: -61.426020
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -13.588
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -191.122918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.180962 (E_RNA)
where:
Base-Base interactions energy: -130.001
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.003
local terms energy: -61.177275
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -17.140
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: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -187.911262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.911262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.921066 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -49.978
Base-Backbone interact. energy: 1.382
local terms energy: -57.591127
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -10.464
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: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -185.960482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.960482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.064465 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -55.631
Base-Backbone interact. energy: -0.130
local terms energy: -59.569140
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -12.791
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: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -187.115190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.115190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.115190 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.924
local terms energy: -63.437697
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -171.782624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.782624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.808496 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.312
local terms energy: -56.132935
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -12.236
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -173.809639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.809639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.809639 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -52.812
Base-Backbone interact. energy: -0.001
local terms energy: -54.858816
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -171.130266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.131792 (E_RNA)
where:
Base-Base interactions energy: -117.838
where: short stacking energy: -49.695
Base-Backbone interact. energy: 0.579
local terms energy: -53.872412
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -172.590200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.682776 (E_RNA)
where:
Base-Base interactions energy: -121.023
where: short stacking energy: -55.641
Base-Backbone interact. energy: 0.058
local terms energy: -51.718026
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -11.814
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: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -167.416344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.416344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.416344 (E_RNA)
where:
Base-Base interactions energy: -118.204
where: short stacking energy: -51.827
Base-Backbone interact. energy: -0.027
local terms energy: -49.185083
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -192.825762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.825762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.825762 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.079
local terms energy: -59.730198
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -13.369
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: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -185.799304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.799304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.963472 (E_RNA)
where:
Base-Base interactions energy: -133.971
where: short stacking energy: -52.863
Base-Backbone interact. energy: -0.812
local terms energy: -51.180345
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -10.912
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: 61
Temperature: 1.000000
Total energy: -180.949873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.949873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.198674 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -53.592
Base-Backbone interact. energy: -0.303
local terms energy: -50.538645
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -11.906
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: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -177.985542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.985542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.985542 (E_RNA)
where:
Base-Base interactions energy: -122.750
where: short stacking energy: -53.408
Base-Backbone interact. energy: -0.242
local terms energy: -54.993478
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -12.719
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: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -190.232153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.232153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.274986 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.002
local terms energy: -58.718836
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -13.749
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: 6, replica: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -173.176691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.176691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.213953 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -49.673
Base-Backbone interact. energy: -0.295
local terms energy: -49.122544
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -8.937
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -184.358818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.358818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.376619 (E_RNA)
where:
Base-Base interactions energy: -124.840
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.011
local terms energy: -59.526360
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -17.945
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: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -176.592678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.592678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.740686 (E_RNA)
where:
Base-Base interactions energy: -128.183
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.001
local terms energy: -48.557070
where:
bonds (distance) C4'-P energy: -6.355
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -15.059
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: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -165.992253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.992253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.053036 (E_RNA)
where:
Base-Base interactions energy: -119.232
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.002
local terms energy: -46.819307
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -7.350
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -13.744
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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -156.852046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.852046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.914819 (E_RNA)
where:
Base-Base interactions energy: -109.115
where: short stacking energy: -41.312
Base-Backbone interact. energy: 1.301
local terms energy: -49.100588
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -5.671
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -9.540
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: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -187.475972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.475972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.555264 (E_RNA)
where:
Base-Base interactions energy: -133.787
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.209
local terms energy: -53.559104
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -10.522
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: 62
Temperature: 0.950000
Total energy: -189.405703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.405703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.429260 (E_RNA)
where:
Base-Base interactions energy: -131.539
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.353
local terms energy: -57.537634
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -12.811
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: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -183.018905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.018905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.033891 (E_RNA)
where:
Base-Base interactions energy: -126.692
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.018
local terms energy: -56.323676
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -14.081
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: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -187.575714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.575714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.712820 (E_RNA)
where:
Base-Base interactions energy: -128.737
where: short stacking energy: -49.339
Base-Backbone interact. energy: -0.012
local terms energy: -58.963462
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -13.197
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: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -185.734249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.734249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.823109 (E_RNA)
where:
Base-Base interactions energy: -139.550
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.003
local terms energy: -46.270723
where:
bonds (distance) C4'-P energy: -6.085
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -11.151
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: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -176.342927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.342927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.393536 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -50.790
Base-Backbone interact. energy: -0.002
local terms energy: -59.560444
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -12.216
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: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -174.378189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.378189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.689584 (E_RNA)
where:
Base-Base interactions energy: -122.532
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.076
local terms energy: -52.081510
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -8.480
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.895
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: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -169.384671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.384671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.480599 (E_RNA)
where:
Base-Base interactions energy: -114.367
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.015
local terms energy: -55.098855
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -8.436
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -13.579
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: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -177.197120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.279476 (E_RNA)
where:
Base-Base interactions energy: -119.327
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.761
local terms energy: -57.192001
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.627
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: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -172.760727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.760727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.768467 (E_RNA)
where:
Base-Base interactions energy: -120.089
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.001
local terms energy: -52.678121
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -6.494
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -13.584
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: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -194.321015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.321015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.334846 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.187
local terms energy: -51.827087
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -7.590
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -11.954
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: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -190.314663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.381180 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -58.999
Base-Backbone interact. energy: 0.035
local terms energy: -61.614131
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -13.741
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: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -189.477013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.477013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.647382 (E_RNA)
where:
Base-Base interactions energy: -128.801
where: short stacking energy: -51.575
Base-Backbone interact. energy: -0.884
local terms energy: -59.962611
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.529
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: 4
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -187.490607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.490607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.513334 (E_RNA)
where:
Base-Base interactions energy: -136.850
where: short stacking energy: -51.746
Base-Backbone interact. energy: -0.461
local terms energy: -50.201773
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -10.531
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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -184.052126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.052126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.067609 (E_RNA)
where:
Base-Base interactions energy: -131.559
where: short stacking energy: -53.180
Base-Backbone interact. energy: -0.572
local terms energy: -51.936327
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -9.514
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: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -176.456793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.494317 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.020
local terms energy: -58.057401
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.971
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: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -168.711237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.711237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.937501 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.001
local terms energy: -42.530448
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -5.003
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -10.890
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: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -166.542243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.542243 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -46.613
Base-Backbone interact. energy: -0.226
local terms energy: -51.674893
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -166.943891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.943891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.113830 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.198
local terms energy: -46.804237
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -10.224
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: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -167.311407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.311407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.325737 (E_RNA)
where:
Base-Base interactions energy: -112.515
where: short stacking energy: -53.053
Base-Backbone interact. energy: -0.290
local terms energy: -54.520651
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -13.230
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: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -191.801796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.801796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.848356 (E_RNA)
where:
Base-Base interactions energy: -127.390
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.170
local terms energy: -64.288150
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.254
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: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -187.399152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.447855 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.087
local terms energy: -57.064962
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -11.948
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -176.178178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.178178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.268200 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -51.740
Base-Backbone interact. energy: -0.011
local terms energy: -55.596246
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -11.811
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -183.715318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.715318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.763658 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.649
local terms energy: -49.194815
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -10.185
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: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -186.328805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.354440 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.002
local terms energy: -59.577939
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -15.033
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -176.474687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.474687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.491775 (E_RNA)
where:
Base-Base interactions energy: -124.806
where: short stacking energy: -51.151
Base-Backbone interact. energy: -0.654
local terms energy: -51.032540
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -11.352
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: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -172.261710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.261710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.363605 (E_RNA)
where:
Base-Base interactions energy: -118.107
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.049
local terms energy: -54.207446
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -7.070
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.382
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: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -166.076437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.076437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.112642 (E_RNA)
where:
Base-Base interactions energy: -114.130
where: short stacking energy: -42.138
Base-Backbone interact. energy: 0.961
local terms energy: -52.943922
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -10.703
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: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -164.604195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.604195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.059289 (E_RNA)
where:
Base-Base interactions energy: -113.586
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.322
local terms energy: -51.151655
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -11.789
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: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -170.649274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.649274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.673759 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.267
local terms energy: -44.559931
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -11.834
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: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -192.275385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.275385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.407766 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.005
local terms energy: -65.401469
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -17.449
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: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -192.047008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.047008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.125217 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -60.664
Base-Backbone interact. energy: 1.635
local terms energy: -61.376861
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -17.134
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: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -183.752170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.752170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.819977 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -53.563
Base-Backbone interact. energy: -0.040
local terms energy: -47.886406
where:
bonds (distance) C4'-P energy: -6.872
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -10.866
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: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -183.746577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.746577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.809659 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.008
local terms energy: -57.861244
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -14.993
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: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -189.461045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.461045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.529138 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.017
local terms energy: -61.736518
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -17.877
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -176.108448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.108448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.182689 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.014
local terms energy: -58.070673
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -13.587
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: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -175.101843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.101843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.229978 (E_RNA)
where:
Base-Base interactions energy: -124.428
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.000
local terms energy: -50.802223
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -14.319
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: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -177.876029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.876029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.923491 (E_RNA)
where:
Base-Base interactions energy: -126.445
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.570
local terms energy: -50.908577
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -12.636
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -175.597331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.597331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.791573 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.053
local terms energy: -54.225682
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -7.637
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -14.192
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: 65
Temperature: 1.350000
Total energy: -162.468899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.468899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.564491 (E_RNA)
where:
Base-Base interactions energy: -107.927
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.102
local terms energy: -54.535210
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -12.140
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: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -196.851624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.888849 (E_RNA)
where:
Base-Base interactions energy: -133.049
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.004
local terms energy: -63.836579
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -14.493
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: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -191.272093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.272093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.301733 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.006
local terms energy: -62.838220
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -15.154
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -183.707644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.707644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.772033 (E_RNA)
where:
Base-Base interactions energy: -129.249
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.012
local terms energy: -54.510575
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -16.623
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: 66
Temperature: 1.050000
Total energy: -188.822185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.822185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.824749 (E_RNA)
where:
Base-Base interactions energy: -135.700
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.580
local terms energy: -52.544287
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -8.256
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -172.458585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.458585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.613763 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -46.647
Base-Backbone interact. energy: 0.681
local terms energy: -56.862094
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -14.148
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: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -177.196428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.285838 (E_RNA)
where:
Base-Base interactions energy: -122.747
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.016
local terms energy: -54.522778
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -13.103
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: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -174.240723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240723 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.033
local terms energy: -48.555784
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -178.270583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593136 (E_RNA)
where:
Base-Base interactions energy: -121.671
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.003
local terms energy: -56.918952
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -14.969
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -172.383731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.445338 (E_RNA)
where:
Base-Base interactions energy: -116.307
where: short stacking energy: -52.549
Base-Backbone interact. energy: -0.003
local terms energy: -56.135724
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -13.477
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: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -169.307302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.307302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.319130 (E_RNA)
where:
Base-Base interactions energy: -115.465
where: short stacking energy: -49.131
Base-Backbone interact. energy: -0.414
local terms energy: -53.439852
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -14.467
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -192.807450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.807450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.821216 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.002
local terms energy: -63.131798
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -17.381
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -193.496042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.496042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496042 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.006
local terms energy: -60.575700
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -14.879
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: 67
Temperature: 1.000000
Total energy: -187.414993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.414993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.453387 (E_RNA)
where:
Base-Base interactions energy: -130.958
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.011
local terms energy: -56.484189
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -13.038
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: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -185.546300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.710891 (E_RNA)
where:
Base-Base interactions energy: -126.888
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.253
local terms energy: -58.569953
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -15.753
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -176.691804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.691804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.691804 (E_RNA)
where:
Base-Base interactions energy: -124.510
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.176
local terms energy: -52.005778
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -181.733339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.733339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.733339 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.005
local terms energy: -53.732217
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -13.625
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: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -174.846217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.846217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.913709 (E_RNA)
where:
Base-Base interactions energy: -120.824
where: short stacking energy: -52.644
Base-Backbone interact. energy: 0.976
local terms energy: -55.065486
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -11.701
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: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -172.866849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.866849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871676 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.067
local terms energy: -48.722601
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -9.500
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: 67
Temperature: 1.300000
Total energy: -168.800298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.800298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047705 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.126
local terms energy: -50.496702
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -9.216
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: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -161.273472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.273472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.293735 (E_RNA)
where:
Base-Base interactions energy: -113.737
where: short stacking energy: -47.068
Base-Backbone interact. energy: 0.477
local terms energy: -48.033621
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -199.028103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.028103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.055719 (E_RNA)
where:
Base-Base interactions energy: -133.661
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.001
local terms energy: -65.394000
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -15.341
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: 68
Temperature: 0.950000
Total energy: -192.319693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.319693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.325285 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.005
local terms energy: -61.519188
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -15.785
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: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -191.108719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.108719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.108719 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -61.855
Base-Backbone interact. energy: -0.002
local terms energy: -57.970664
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.822
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: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -186.234323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.234323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.234323 (E_RNA)
where:
Base-Base interactions energy: -130.267
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.004
local terms energy: -55.963182
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.964
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: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -186.206320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.331718 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -59.548
Base-Backbone interact. energy: 1.877
local terms energy: -63.193261
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -15.791
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: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -178.662708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.845053 (E_RNA)
where:
Base-Base interactions energy: -123.146
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.006
local terms energy: -55.692617
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -11.359
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: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -175.651478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.663997 (E_RNA)
where:
Base-Base interactions energy: -122.264
where: short stacking energy: -57.403
Base-Backbone interact. energy: -0.124
local terms energy: -53.276275
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -14.060
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: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -173.193654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.193654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.239694 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -49.053
Base-Backbone interact. energy: -0.017
local terms energy: -55.251292
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -14.364
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: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -158.246683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.246683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.462003 (E_RNA)
where:
Base-Base interactions energy: -114.199
where: short stacking energy: -44.684
Base-Backbone interact. energy: -0.166
local terms energy: -44.097567
where:
bonds (distance) C4'-P energy: -3.887
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -10.042
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: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -170.056004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.056004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.073214 (E_RNA)
where:
Base-Base interactions energy: -116.082
where: short stacking energy: -50.463
Base-Backbone interact. energy: -0.074
local terms energy: -53.916769
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -13.409
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: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -191.432162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.434707 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.027
local terms energy: -61.469144
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -15.200
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -191.704451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.727548 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.000
local terms energy: -60.707682
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -16.826
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: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -195.023500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.023500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.023500 (E_RNA)
where:
Base-Base interactions energy: -129.754
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.015
local terms energy: -65.254119
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -15.845
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: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -182.147299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.147299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500715 (E_RNA)
where:
Base-Base interactions energy: -125.411
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.010
local terms energy: -57.079187
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -15.876
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -183.687021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.687021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.687021 (E_RNA)
where:
Base-Base interactions energy: -130.453
where: short stacking energy: -51.286
Base-Backbone interact. energy: -0.305
local terms energy: -52.929129
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -175.428794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.428794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.430448 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -53.057
Base-Backbone interact. energy: -0.001
local terms energy: -53.143764
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.002 (S_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: -190.883778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.883778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.888397 (E_RNA)
where:
Base-Base interactions energy: -131.263
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.000
local terms energy: -59.624910
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -16.965
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: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -181.113766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.113766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137837 (E_RNA)
where:
Base-Base interactions energy: -128.985
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.471
local terms energy: -51.681895
where:
bonds (distance) C4'-P energy: -5.290
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -16.255
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: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -167.516923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.516923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.637867 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.003
local terms energy: -50.892195
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -13.892
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: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -167.002112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.002112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.037358 (E_RNA)
where:
Base-Base interactions energy: -112.726
where: short stacking energy: -49.328
Base-Backbone interact. energy: -0.006
local terms energy: -54.305489
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -15.328
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: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -191.771648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.771648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.822039 (E_RNA)
where:
Base-Base interactions energy: -127.762
where: short stacking energy: -60.751
Base-Backbone interact. energy: -0.029
local terms energy: -64.030968
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -14.945
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -187.118993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.118993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.122334 (E_RNA)
where:
Base-Base interactions energy: -129.070
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.081
local terms energy: -57.970971
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -14.033
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: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -191.741752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.741752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.741752 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.021
local terms energy: -60.291987
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -17.042
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: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -183.639697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.639697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665405 (E_RNA)
where:
Base-Base interactions energy: -124.735
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.035
local terms energy: -58.895354
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -15.101
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: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -186.982295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.982295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.998888 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -49.437
Base-Backbone interact. energy: -0.652
local terms energy: -54.517349
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -11.998
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: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -178.869611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.869611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.045392 (E_RNA)
where:
Base-Base interactions energy: -126.876
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.156
local terms energy: -52.012961
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -14.714
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: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -171.903081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.903081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.960239 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -52.696
Base-Backbone interact. energy: -0.043
local terms energy: -57.078174
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -15.558
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: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -167.096845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.096845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.103060 (E_RNA)
where:
Base-Base interactions energy: -117.625
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.019
local terms energy: -49.459853
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -11.008
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: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -157.637035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.637035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.796552 (E_RNA)
where:
Base-Base interactions energy: -106.069
where: short stacking energy: -42.488
Base-Backbone interact. energy: -0.000
local terms energy: -51.727043
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -13.319
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: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -163.162356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.162356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.291624 (E_RNA)
where:
Base-Base interactions energy: -115.509
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.176
local terms energy: -47.606486
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -11.716
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: 71
Temperature: 0.900000
Total energy: -192.327373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.327373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.330680 (E_RNA)
where:
Base-Base interactions energy: -132.419
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.034
local terms energy: -59.877984
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -16.926
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -190.920672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.920672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.986755 (E_RNA)
where:
Base-Base interactions energy: -130.213
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.042
local terms energy: -60.732065
where:
bonds (distance) C4'-P energy: -8.027
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -16.463
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: 71
Temperature: 1.000000
Total energy: -188.274056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.274056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.353377 (E_RNA)
where:
Base-Base interactions energy: -127.301
where: short stacking energy: -59.450
Base-Backbone interact. energy: -0.000
local terms energy: -61.051971
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -17.846
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -188.310139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.310139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.318815 (E_RNA)
where:
Base-Base interactions energy: -131.646
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.917
local terms energy: -55.755907
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -14.423
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: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -178.577252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.687422 (E_RNA)
where:
Base-Base interactions energy: -121.771
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.142
local terms energy: -56.773994
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -14.845
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: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -183.872912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.872912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.912987 (E_RNA)
where:
Base-Base interactions energy: -129.376
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.575
local terms energy: -53.961725
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -13.990
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -183.055762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055762 (E_RNA)
where:
Base-Base interactions energy: -127.465
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.518
local terms energy: -55.072433
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -166.768477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.768477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.794518 (E_RNA)
where:
Base-Base interactions energy: -110.791
where: short stacking energy: -43.619
Base-Backbone interact. energy: -0.048
local terms energy: -55.954886
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -7.593
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: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -174.282721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.282721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.333520 (E_RNA)
where:
Base-Base interactions energy: -121.458
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.082
local terms energy: -52.793470
where:
bonds (distance) C4'-P energy: -4.375
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.101
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: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -167.155882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.166793 (E_RNA)
where:
Base-Base interactions energy: -116.306
where: short stacking energy: -46.963
Base-Backbone interact. energy: -0.135
local terms energy: -50.726154
where:
bonds (distance) C4'-P energy: -6.081
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -11.539
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: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -189.197435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343111 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -61.414
Base-Backbone interact. energy: -0.809
local terms energy: -59.125080
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -14.530
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -191.660944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.660944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.807126 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.001
local terms energy: -60.059885
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.791
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -188.355949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.355949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364158 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -52.201
Base-Backbone interact. energy: -0.024
local terms energy: -56.205174
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -11.329
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: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -180.468249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.468249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.665605 (E_RNA)
where:
Base-Base interactions energy: -128.283
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.075
local terms energy: -52.307515
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -12.702
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: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -184.109214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.109214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.290637 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.003
local terms energy: -58.820730
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -15.008
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: 72
Temperature: 1.150000
Total energy: -177.661750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.661750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.696584 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -55.958
Base-Backbone interact. energy: -0.005
local terms energy: -56.094689
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -16.186
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: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -178.062156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.266338 (E_RNA)
where:
Base-Base interactions energy: -122.773
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.002
local terms energy: -55.492049
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -15.203
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: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -172.441074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.441074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464719 (E_RNA)
where:
Base-Base interactions energy: -124.188
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.400
local terms energy: -47.876635
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -13.274
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: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -158.762090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.762090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.765085 (E_RNA)
where:
Base-Base interactions energy: -106.777
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.036
local terms energy: -51.951271
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -11.247
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: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -164.863503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.863503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.952270 (E_RNA)
where:
Base-Base interactions energy: -116.676
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.470
local terms energy: -47.806338
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -8.372
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: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -195.375885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.375885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.494338 (E_RNA)
where:
Base-Base interactions energy: -135.404
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.048
local terms energy: -60.042578
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.485
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: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -192.290821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.290821 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.331
local terms energy: -57.781684
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -10.290
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: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -187.677690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.677690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.868711 (E_RNA)
where:
Base-Base interactions energy: -127.613
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.157
local terms energy: -60.099364
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -13.290
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: 73
Temperature: 1.050000
Total energy: -174.820596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.820596 (E_RNA)
where:
Base-Base interactions energy: -115.577
where: short stacking energy: -47.760
Base-Backbone interact. energy: -0.041
local terms energy: -59.202200
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -7.929
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -16.443
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: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -182.505315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.505315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542054 (E_RNA)
where:
Base-Base interactions energy: -126.254
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.012
local terms energy: -56.275888
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -13.700
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: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -182.180789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.180789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.214029 (E_RNA)
where:
Base-Base interactions energy: -125.919
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.011
local terms energy: -56.283708
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -15.561
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: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -170.517170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.517170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537976 (E_RNA)
where:
Base-Base interactions energy: -115.622
where: short stacking energy: -53.643
Base-Backbone interact. energy: -0.040
local terms energy: -54.876060
where:
bonds (distance) C4'-P energy: -6.466
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -16.113
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: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -172.744444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.744444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.944468 (E_RNA)
where:
Base-Base interactions energy: -119.762
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.011
local terms energy: -53.171335
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -11.888
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: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -164.545078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.545078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.763082 (E_RNA)
where:
Base-Base interactions energy: -113.754
where: short stacking energy: -43.492
Base-Backbone interact. energy: -0.322
local terms energy: -50.686938
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -8.914
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: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -158.443922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.443922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.443922 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -44.412
Base-Backbone interact. energy: -0.239
local terms energy: -45.290829
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -192.482990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.482990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495958 (E_RNA)
where:
Base-Base interactions energy: -140.867
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.163
local terms energy: -51.465553
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -12.925
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: 74
Temperature: 0.950000
Total energy: -188.520911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.520911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.561143 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -56.295
Base-Backbone interact. energy: -0.003
local terms energy: -61.596104
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -13.975
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: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -189.112963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.112963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124647 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -63.696
Base-Backbone interact. energy: -0.014
local terms energy: -57.024800
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -14.610
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -190.419006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.424147 (E_RNA)
where:
Base-Base interactions energy: -131.529
where: short stacking energy: -57.967
Base-Backbone interact. energy: -0.003
local terms energy: -58.891645
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -16.909
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: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -181.546685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.546685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.598090 (E_RNA)
where:
Base-Base interactions energy: -119.538
where: short stacking energy: -51.918
Base-Backbone interact. energy: -0.027
local terms energy: -62.032931
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -16.108
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -181.867666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.867666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.921150 (E_RNA)
where:
Base-Base interactions energy: -124.152
where: short stacking energy: -55.725
Base-Backbone interact. energy: 0.186
local terms energy: -57.954567
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -14.775
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -167.013474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.013474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.114981 (E_RNA)
where:
Base-Base interactions energy: -118.628
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.849
local terms energy: -47.638693
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -13.109
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: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -172.609281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.609281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734682 (E_RNA)
where:
Base-Base interactions energy: -124.910
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.013
local terms energy: -47.811326
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -13.667
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: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -169.364556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.364556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553270 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.036
local terms energy: -50.100166
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -16.659
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: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -168.022702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043386 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -47.910
Base-Backbone interact. energy: 0.974
local terms energy: -49.025133
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -12.325
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: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -195.430224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.430224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.524353 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.129
local terms energy: -56.644349
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -11.285
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: 75
Temperature: 0.950000
Total energy: -190.966376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.966376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.032266 (E_RNA)
where:
Base-Base interactions energy: -131.973
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.000
local terms energy: -59.059510
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -15.527
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -188.552832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.552832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.594149 (E_RNA)
where:
Base-Base interactions energy: -131.001
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.062
local terms energy: -57.530647
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -15.384
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -186.169280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.169280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.212661 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.001
local terms energy: -58.168478
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -14.337
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: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -186.908479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.908479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.008152 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.023
local terms energy: -58.147227
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -13.468
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -182.841118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.841118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.852293 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -55.646
Base-Backbone interact. energy: -0.003
local terms energy: -58.449266
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -14.565
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -172.631733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.684078 (E_RNA)
where:
Base-Base interactions energy: -118.318
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.113
local terms energy: -54.252674
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -9.973
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: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -177.107317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.107317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.167712 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.005
local terms energy: -53.067233
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -14.112
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: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -164.392333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.392333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.555422 (E_RNA)
where:
Base-Base interactions energy: -114.990
where: short stacking energy: -50.352
Base-Backbone interact. energy: -0.026
local terms energy: -49.538798
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -11.017
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: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -161.061757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.061757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.137510 (E_RNA)
where:
Base-Base interactions energy: -112.625
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.834
local terms energy: -47.678057
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -8.072
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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -197.269197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.269197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.388311 (E_RNA)
where:
Base-Base interactions energy: -132.782
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.001
local terms energy: -64.604788
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -17.315
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: 76
Temperature: 0.950000
Total energy: -187.508530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570320 (E_RNA)
where:
Base-Base interactions energy: -130.489
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.565
local terms energy: -56.515940
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -11.368
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: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -186.100856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.100856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.100856 (E_RNA)
where:
Base-Base interactions energy: -128.812
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.055
local terms energy: -57.233901
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -14.931
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: 76
Temperature: 1.050000
Total energy: -188.877568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.877568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.969488 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.747
local terms energy: -61.917290
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -15.621
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -183.229474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.229474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.229474 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.000
local terms energy: -57.173731
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -176.094836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.094836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.251916 (E_RNA)
where:
Base-Base interactions energy: -118.904
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.000
local terms energy: -57.347066
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.257
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -169.747349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.747349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802217 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.225
local terms energy: -49.491985
where:
bonds (distance) C4'-P energy: -6.997
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -11.724
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: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -173.173900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.173900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175440 (E_RNA)
where:
Base-Base interactions energy: -117.948
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.184
local terms energy: -55.043762
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -164.415264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.415264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.472940 (E_RNA)
where:
Base-Base interactions energy: -110.253
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.096
local terms energy: -54.124030
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -12.337
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: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -162.362480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.362480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.519206 (E_RNA)
where:
Base-Base interactions energy: -109.578
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.040
local terms energy: -52.901536
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -10.088
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: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -195.071198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.071198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.186383 (E_RNA)
where:
Base-Base interactions energy: -132.705
where: short stacking energy: -62.700
Base-Backbone interact. energy: -0.035
local terms energy: -62.446591
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -15.372
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: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -185.700070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.700070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700070 (E_RNA)
where:
Base-Base interactions energy: -133.204
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.001
local terms energy: -52.494807
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -14.843
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: 77
Temperature: 1.000000
Total energy: -193.475411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.493121 (E_RNA)
where:
Base-Base interactions energy: -134.756
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.436
local terms energy: -58.300713
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -12.152
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: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -182.509154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.509154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.515251 (E_RNA)
where:
Base-Base interactions energy: -126.439
where: short stacking energy: -55.497
Base-Backbone interact. energy: -0.161
local terms energy: -55.914912
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -17.459
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -187.143097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.143097 (E_RNA)
where:
Base-Base interactions energy: -131.315
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.330
local terms energy: -55.497435
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -170.629598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.629598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.632048 (E_RNA)
where:
Base-Base interactions energy: -123.403
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.298
local terms energy: -46.931456
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -5.073
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.002 (S_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: 77
Temperature: 1.200000
Total energy: -173.107343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107343 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.001
local terms energy: -50.872160
where:
bonds (distance) C4'-P energy: -5.743
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -164.883091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.883091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.404157 (E_RNA)
where:
Base-Base interactions energy: -112.555
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.140
local terms energy: -52.709100
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -13.118
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -168.550553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.550553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.827429 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.223
local terms energy: -48.260162
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -13.363
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: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -173.750585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.750585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.775528 (E_RNA)
where:
Base-Base interactions energy: -120.442
where: short stacking energy: -55.778
Base-Backbone interact. energy: 0.149
local terms energy: -53.483369
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -14.051
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: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -190.415291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.415291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.637893 (E_RNA)
where:
Base-Base interactions energy: -137.027
where: short stacking energy: -59.729
Base-Backbone interact. energy: 0.992
local terms energy: -54.602899
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -13.221
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -188.474651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.474651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.573990 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.002
local terms energy: -58.682203
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.442
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: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -190.179107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.179107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.200795 (E_RNA)
where:
Base-Base interactions energy: -127.297
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.001
local terms energy: -62.902649
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -16.787
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -187.523414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.523414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.637124 (E_RNA)
where:
Base-Base interactions energy: -133.086
where: short stacking energy: -55.452
Base-Backbone interact. energy: -1.132
local terms energy: -53.418680
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -12.801
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: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -169.883372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.883372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.911780 (E_RNA)
where:
Base-Base interactions energy: -112.796
where: short stacking energy: -43.228
Base-Backbone interact. energy: -0.599
local terms energy: -56.517235
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -12.166
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -170.092020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.092020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.326564 (E_RNA)
where:
Base-Base interactions energy: -116.654
where: short stacking energy: -52.505
Base-Backbone interact. energy: -0.152
local terms energy: -53.520174
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -15.621
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: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -160.687043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.687043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.719169 (E_RNA)
where:
Base-Base interactions energy: -107.219
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.043
local terms energy: -53.457566
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.668
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: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -170.858990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.858990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.900046 (E_RNA)
where:
Base-Base interactions energy: -119.643
where: short stacking energy: -53.130
Base-Backbone interact. energy: 0.310
local terms energy: -51.567625
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -11.187
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: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -162.693387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.693387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.703159 (E_RNA)
where:
Base-Base interactions energy: -106.935
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.059
local terms energy: -55.708400
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -11.758
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: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -163.882506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.882506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.036872 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -45.335
Base-Backbone interact. energy: -0.023
local terms energy: -48.606436
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -6.048
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: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -189.588716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.588716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.602531 (E_RNA)
where:
Base-Base interactions energy: -134.241
where: short stacking energy: -59.295
Base-Backbone interact. energy: -0.065
local terms energy: -55.296396
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.578
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: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -193.169507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.169507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.175022 (E_RNA)
where:
Base-Base interactions energy: -129.520
where: short stacking energy: -61.947
Base-Backbone interact. energy: -0.274
local terms energy: -63.380711
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -15.699
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: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -183.992532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.992532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.992532 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.029
local terms energy: -55.306573
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -16.185
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: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -181.688916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.693621 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.094
local terms energy: -51.787934
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -12.246
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: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -183.178726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.178726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.178726 (E_RNA)
where:
Base-Base interactions energy: -129.675
where: short stacking energy: -53.416
Base-Backbone interact. energy: -0.567
local terms energy: -52.936990
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -172.268791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.268791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.476040 (E_RNA)
where:
Base-Base interactions energy: -124.429
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.000
local terms energy: -48.046498
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -14.880
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: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -169.469721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.469721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.503584 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.061
local terms energy: -52.792154
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -11.054
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: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -163.746507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.746507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.874479 (E_RNA)
where:
Base-Base interactions energy: -115.068
where: short stacking energy: -53.568
Base-Backbone interact. energy: -0.025
local terms energy: -48.780599
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -7.082
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -9.046
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: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -159.397844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.397844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.397844 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -36.799
Base-Backbone interact. energy: -1.115
local terms energy: -47.625171
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -8.687
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -173.090971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.090971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.108363 (E_RNA)
where:
Base-Base interactions energy: -123.436
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.003
local terms energy: -49.669106
where:
bonds (distance) C4'-P energy: -8.043
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -13.210
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: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -193.245441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.245441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.245441 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.013
local terms energy: -61.214679
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -13.859
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: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -188.457476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.457476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.632270 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.004
local terms energy: -58.061435
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -14.301
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: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -185.104185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.161238 (E_RNA)
where:
Base-Base interactions energy: -128.899
where: short stacking energy: -56.231
Base-Backbone interact. energy: -0.000
local terms energy: -56.262217
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -15.938
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: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -178.553223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.685487 (E_RNA)
where:
Base-Base interactions energy: -118.135
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.156
local terms energy: -60.394091
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -14.857
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: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -185.394079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.394079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.562446 (E_RNA)
where:
Base-Base interactions energy: -132.608
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.115
local terms energy: -52.839795
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -11.813
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: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -171.207302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.207302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.391195 (E_RNA)
where:
Base-Base interactions energy: -119.149
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.040
local terms energy: -52.202939
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -14.851
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -172.603681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.603681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.656064 (E_RNA)
where:
Base-Base interactions energy: -114.940
where: short stacking energy: -50.835
Base-Backbone interact. energy: -0.001
local terms energy: -57.715243
where:
bonds (distance) C4'-P energy: -7.630
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -14.541
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: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -162.433100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433100 (E_RNA)
where:
Base-Base interactions energy: -116.248
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.630
local terms energy: -45.555833
where:
bonds (distance) C4'-P energy: -5.315
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -168.180047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.180047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.380474 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.001
local terms energy: -51.328782
where:
bonds (distance) C4'-P energy: -4.098
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -12.937
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: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -165.776069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.776069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.791592 (E_RNA)
where:
Base-Base interactions energy: -120.118
where: short stacking energy: -56.010
Base-Backbone interact. energy: 0.265
local terms energy: -45.938453
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: 0.077
tors. eta vs tors. theta energy: -11.259
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: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -194.094035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.094035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.224068 (E_RNA)
where:
Base-Base interactions energy: -129.201
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.014
local terms energy: -65.008749
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -16.950
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -193.816279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.816279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.816279 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.508
local terms energy: -51.306446
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -10.928
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: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -188.408710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577204 (E_RNA)
where:
Base-Base interactions energy: -125.827
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.027
local terms energy: -62.724018
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -17.157
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: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -185.918695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.918695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.057132 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.374
local terms energy: -54.007087
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.742
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: 81
Temperature: 1.100000
Total energy: -181.532131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.581228 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.000
local terms energy: -52.298367
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -14.151
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: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -184.361457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.361457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.457164 (E_RNA)
where:
Base-Base interactions energy: -123.654
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.537
local terms energy: -60.266172
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.685
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -168.052796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.052796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.106848 (E_RNA)
where:
Base-Base interactions energy: -115.377
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.047
local terms energy: -52.682887
where:
bonds (distance) C4'-P energy: -6.963
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -13.340
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -174.848557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.848557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.848557 (E_RNA)
where:
Base-Base interactions energy: -119.569
where: short stacking energy: -46.501
Base-Backbone interact. energy: -0.050
local terms energy: -55.229867
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -156.832568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.832568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.923336 (E_RNA)
where:
Base-Base interactions energy: -106.145
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.577
local terms energy: -50.201479
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -8.059
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: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -163.883065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.883065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.977414 (E_RNA)
where:
Base-Base interactions energy: -113.459
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.114
local terms energy: -50.404424
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -11.294
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: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -194.435181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.435181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.469084 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.013
local terms energy: -58.008425
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -10.916
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: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -191.262519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.262519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309043 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.014
local terms energy: -61.634592
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -15.831
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -195.077855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.077855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094252 (E_RNA)
where:
Base-Base interactions energy: -137.439
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.161
local terms energy: -57.494359
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.002
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -188.314726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.314726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.314726 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.005
local terms energy: -55.985818
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -14.223
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: 82
Temperature: 1.100000
Total energy: -179.749327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.749327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.796493 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -55.696
Base-Backbone interact. energy: -0.279
local terms energy: -57.139948
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -11.740
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: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -171.595737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.598187 (E_RNA)
where:
Base-Base interactions energy: -117.104
where: short stacking energy: -52.682
Base-Backbone interact. energy: -0.009
local terms energy: -54.484865
where:
bonds (distance) C4'-P energy: -6.099
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.002 (S_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: 82
Temperature: 1.200000
Total energy: -179.941877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941877 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.586
local terms energy: -50.264314
where:
bonds (distance) C4'-P energy: -7.588
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -177.114639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.171214 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.293
local terms energy: -55.701869
where:
bonds (distance) C4'-P energy: -7.385
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -14.567
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: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -164.757166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.757166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.066259 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.514
local terms energy: -48.099644
where:
bonds (distance) C4'-P energy: -4.656
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -15.874
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: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -164.708582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.708582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.729362 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.000
local terms energy: -49.187107
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -7.653
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -14.490
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: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -193.561532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.700731 (E_RNA)
where:
Base-Base interactions energy: -140.807
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.142
local terms energy: -52.751726
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -11.144
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: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -194.717135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.717135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.717135 (E_RNA)
where:
Base-Base interactions energy: -136.523
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.568
local terms energy: -57.626377
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -11.545
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: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -188.599955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.599955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.630412 (E_RNA)
where:
Base-Base interactions energy: -132.356
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.238
local terms energy: -56.036564
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -15.842
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -185.623470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.623470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.636313 (E_RNA)
where:
Base-Base interactions energy: -123.267
where: short stacking energy: -55.114
Base-Backbone interact. energy: -0.083
local terms energy: -62.286617
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -14.141
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: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -180.100767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.132080 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.071
local terms energy: -52.441216
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.212
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -175.916166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019274 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.002
local terms energy: -53.319596
where:
bonds (distance) C4'-P energy: -5.428
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -13.973
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -172.479221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.479221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.864927 (E_RNA)
where:
Base-Base interactions energy: -116.434
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.001
local terms energy: -56.430112
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -8.645
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -16.574
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: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -175.467111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.467111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.482130 (E_RNA)
where:
Base-Base interactions energy: -123.987
where: short stacking energy: -59.382
Base-Backbone interact. energy: -0.004
local terms energy: -51.491383
where:
bonds (distance) C4'-P energy: -5.956
bonds (distance) P-C4' energy: -9.585
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -15.281
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: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -162.503926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.503926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.723522 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -49.751
Base-Backbone interact. energy: 0.791
local terms energy: -48.035402
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -6.297
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -12.741
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: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -176.793318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.793318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.793318 (E_RNA)
where:
Base-Base interactions energy: -118.316
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.073
local terms energy: -58.404122
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -189.947800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.947800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.960090 (E_RNA)
where:
Base-Base interactions energy: -131.493
where: short stacking energy: -53.548
Base-Backbone interact. energy: 0.212
local terms energy: -58.678618
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.078
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -195.485545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.485545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.485545 (E_RNA)
where:
Base-Base interactions energy: -137.285
where: short stacking energy: -55.472
Base-Backbone interact. energy: 0.032
local terms energy: -58.232690
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.092
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: 84
Temperature: 1.000000
Total energy: -189.245374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.245374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.245374 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.001
local terms energy: -57.025831
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -17.015
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: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -189.155837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.155837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162239 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.001
local terms energy: -61.079012
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -14.243
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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -177.987729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.988856 (E_RNA)
where:
Base-Base interactions energy: -123.974
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.299
local terms energy: -53.715819
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -13.152
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: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -177.863352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.863352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.008549 (E_RNA)
where:
Base-Base interactions energy: -122.554
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.241
local terms energy: -55.212898
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -15.592
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: 84
Temperature: 1.200000
Total energy: -180.443564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.443564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.487259 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -51.983
Base-Backbone interact. energy: -0.243
local terms energy: -59.746414
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -11.628
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: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -173.441464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.441464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.517126 (E_RNA)
where:
Base-Base interactions energy: -118.635
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.002
local terms energy: -54.879738
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.112
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: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -160.960435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.960435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.983365 (E_RNA)
where:
Base-Base interactions energy: -116.876
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.024
local terms energy: -44.084022
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -8.864
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -10.416
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: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -165.194314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.194314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244439 (E_RNA)
where:
Base-Base interactions energy: -113.000
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.052
local terms energy: -52.192211
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -14.057
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -198.283336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.283336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.293105 (E_RNA)
where:
Base-Base interactions energy: -142.380
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.020
local terms energy: -55.892723
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -11.652
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: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -189.471469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.471469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.497186 (E_RNA)
where:
Base-Base interactions energy: -127.923
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.002
local terms energy: -61.571948
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -15.781
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: 85
Temperature: 1.000000
Total energy: -180.749364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.749364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.749364 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -49.578
Base-Backbone interact. energy: 0.553
local terms energy: -52.417752
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -6.652
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: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -184.492194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.541272 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.003
local terms energy: -58.172568
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -12.161
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: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -177.773168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.773168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.773168 (E_RNA)
where:
Base-Base interactions energy: -120.385
where: short stacking energy: -48.598
Base-Backbone interact. energy: 0.214
local terms energy: -57.602361
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -172.022216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.022216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.312165 (E_RNA)
where:
Base-Base interactions energy: -118.298
where: short stacking energy: -46.777
Base-Backbone interact. energy: -0.019
local terms energy: -53.995692
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.463
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: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -169.594406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.594406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.596272 (E_RNA)
where:
Base-Base interactions energy: -122.002
where: short stacking energy: -55.410
Base-Backbone interact. energy: -0.631
local terms energy: -46.963150
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -168.451079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.451079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.800576 (E_RNA)
where:
Base-Base interactions energy: -117.292
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.043
local terms energy: -51.466235
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -13.629
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: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -159.570785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.570785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.594322 (E_RNA)
where:
Base-Base interactions energy: -114.127
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.114
local terms energy: -45.352966
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -10.885
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -164.285423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.285423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.550115 (E_RNA)
where:
Base-Base interactions energy: -110.436
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.001
local terms energy: -54.113768
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -13.575
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: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -198.668030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.668030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.701559 (E_RNA)
where:
Base-Base interactions energy: -140.321
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.583
local terms energy: -57.796829
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -13.303
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: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -193.274120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.274120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.321898 (E_RNA)
where:
Base-Base interactions energy: -130.756
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.016
local terms energy: -62.549904
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -16.730
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: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -180.540182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.558733 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.015
local terms energy: -60.134027
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -15.775
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -182.503142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.503142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.503142 (E_RNA)
where:
Base-Base interactions energy: -135.939
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.261
local terms energy: -46.302284
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -12.403
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: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -184.842419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.842419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.902317 (E_RNA)
where:
Base-Base interactions energy: -124.106
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.027
local terms energy: -60.769178
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -15.473
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: 86
Temperature: 1.150000
Total energy: -185.302405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302405 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -55.572
Base-Backbone interact. energy: 0.270
local terms energy: -60.488203
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -14.397
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: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -171.244408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.244408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.276494 (E_RNA)
where:
Base-Base interactions energy: -120.085
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.166
local terms energy: -51.025474
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -12.357
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: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -169.807157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807157 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -51.921
Base-Backbone interact. energy: 0.333
local terms energy: -51.461584
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -165.690107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.690107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.694959 (E_RNA)
where:
Base-Base interactions energy: -119.974
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.009
local terms energy: -45.711477
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -14.824
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: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -170.746483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.746483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.784774 (E_RNA)
where:
Base-Base interactions energy: -118.260
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.003
local terms energy: -52.521480
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -12.815
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -193.472193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.472193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.512691 (E_RNA)
where:
Base-Base interactions energy: -138.036
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.173
local terms energy: -55.304158
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -11.772
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: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -189.959805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.959805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.988170 (E_RNA)
where:
Base-Base interactions energy: -130.096
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.003
local terms energy: -59.888559
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -15.640
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: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -188.269707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.269707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276517 (E_RNA)
where:
Base-Base interactions energy: -129.665
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.000
local terms energy: -58.611083
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -16.327
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: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -182.085235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.175258 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.002
local terms energy: -53.150615
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -13.557
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: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -184.449930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.449930 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.013
local terms energy: -56.244721
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -190.198844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.198844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.215131 (E_RNA)
where:
Base-Base interactions energy: -130.409
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.576
local terms energy: -59.230007
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -13.989
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -173.041907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.041907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.075457 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -49.737
Base-Backbone interact. energy: -0.990
local terms energy: -51.158103
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -10.319
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: 87
Temperature: 1.250000
Total energy: -162.360131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.360131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.400849 (E_RNA)
where:
Base-Base interactions energy: -108.487
where: short stacking energy: -43.092
Base-Backbone interact. energy: -0.074
local terms energy: -53.839105
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -11.449
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: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -169.364889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.364889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.535405 (E_RNA)
where:
Base-Base interactions energy: -115.552
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.064
local terms energy: -53.919454
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.920
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: 87
Temperature: 1.350000
Total energy: -175.187735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.300825 (E_RNA)
where:
Base-Base interactions energy: -126.541
where: short stacking energy: -55.815
Base-Backbone interact. energy: 0.517
local terms energy: -49.276815
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -16.187
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: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -194.527113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.573626 (E_RNA)
where:
Base-Base interactions energy: -133.784
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.001
local terms energy: -60.789219
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -16.102
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -192.894592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.894592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.898387 (E_RNA)
where:
Base-Base interactions energy: -135.964
where: short stacking energy: -53.380
Base-Backbone interact. energy: -0.525
local terms energy: -56.409654
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -11.024
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -187.259304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.259304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.279946 (E_RNA)
where:
Base-Base interactions energy: -131.089
where: short stacking energy: -59.311
Base-Backbone interact. energy: 0.446
local terms energy: -56.636632
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.339
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: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -187.027223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.027223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.210042 (E_RNA)
where:
Base-Base interactions energy: -130.697
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.001
local terms energy: -56.512605
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -13.606
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: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -189.183162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.183162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.189465 (E_RNA)
where:
Base-Base interactions energy: -130.892
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.024
local terms energy: -58.274267
where:
bonds (distance) C4'-P energy: -7.625
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.319
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: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -176.545934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.545934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553272 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.001
local terms energy: -54.913441
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -14.439
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: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -168.858061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.858061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.922806 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.006
local terms energy: -49.269123
where:
bonds (distance) C4'-P energy: -7.262
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -11.281
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: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -167.401434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.401434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.509340 (E_RNA)
where:
Base-Base interactions energy: -112.679
where: short stacking energy: -44.502
Base-Backbone interact. energy: -0.100
local terms energy: -54.730472
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -11.821
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: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -166.791418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.791418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.803358 (E_RNA)
where:
Base-Base interactions energy: -118.968
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.043
local terms energy: -47.792884
where:
bonds (distance) C4'-P energy: -3.213
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -12.522
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -159.782977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.782977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.969049 (E_RNA)
where:
Base-Base interactions energy: -115.935
where: short stacking energy: -44.076
Base-Backbone interact. energy: -0.108
local terms energy: -43.926078
where:
bonds (distance) C4'-P energy: -7.088
bonds (distance) P-C4' energy: -6.295
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -10.005
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: 89
Temperature: 0.900000
Total energy: -195.473233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.473233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.673824 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.001
local terms energy: -59.037865
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -15.681
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: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -190.127072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127072 (E_RNA)
where:
Base-Base interactions energy: -132.650
where: short stacking energy: -53.166
Base-Backbone interact. energy: -0.106
local terms energy: -57.371094
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -10.735
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: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -182.379587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.379587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.379587 (E_RNA)
where:
Base-Base interactions energy: -127.985
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.016
local terms energy: -54.379078
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -12.646
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: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -184.326044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.326044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.326044 (E_RNA)
where:
Base-Base interactions energy: -123.863
where: short stacking energy: -52.658
Base-Backbone interact. energy: -0.273
local terms energy: -60.190072
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -13.780
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: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -177.841312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.841312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.110831 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.035
local terms energy: -59.606908
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -16.457
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: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -171.040889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.040889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137222 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -50.219
Base-Backbone interact. energy: -0.404
local terms energy: -53.820445
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -14.876
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: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -170.380305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.380305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.646784 (E_RNA)
where:
Base-Base interactions energy: -114.721
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.034
local terms energy: -55.891941
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -14.064
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: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -177.189024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.189024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191871 (E_RNA)
where:
Base-Base interactions energy: -120.854
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.059
local terms energy: -56.278696
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -13.214
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: 89
Temperature: 1.300000
Total energy: -167.794945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.794945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.941433 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -54.444
Base-Backbone interact. energy: 0.266
local terms energy: -51.474201
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -13.889
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: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -167.883713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.883713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.883713 (E_RNA)
where:
Base-Base interactions energy: -121.922
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.472
local terms energy: -45.489344
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -5.841
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -187.713560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.713560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.728386 (E_RNA)
where:
Base-Base interactions energy: -129.143
where: short stacking energy: -58.899
Base-Backbone interact. energy: -0.000
local terms energy: -58.585039
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -16.638
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: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -192.913622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.928459 (E_RNA)
where:
Base-Base interactions energy: -138.695
where: short stacking energy: -53.714
Base-Backbone interact. energy: -1.026
local terms energy: -53.208252
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -12.518
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: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -187.650107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.650107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732968 (E_RNA)
where:
Base-Base interactions energy: -129.880
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.012
local terms energy: -57.841861
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -14.072
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: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -178.778129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.100182 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.013
local terms energy: -55.001776
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -14.704
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -190.879208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.879208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.910044 (E_RNA)
where:
Base-Base interactions energy: -132.409
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.672
local terms energy: -57.829732
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -17.078
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -181.363078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.363078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.526180 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -56.063
Base-Backbone interact. energy: -0.009
local terms energy: -61.236195
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -14.069
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: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -175.341826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.341826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424238 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -52.989
Base-Backbone interact. energy: -0.000
local terms energy: -54.740281
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -16.260
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: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -167.089739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.089739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.214010 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.264
local terms energy: -44.002849
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -10.515
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: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -164.473541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.473541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.733206 (E_RNA)
where:
Base-Base interactions energy: -118.184
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.005
local terms energy: -46.544135
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -10.315
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: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -161.033284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.033284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.051740 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -51.563
Base-Backbone interact. energy: -0.434
local terms energy: -49.654540
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -9.851
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: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -192.281211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.326950 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.001
local terms energy: -62.768568
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.133
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: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -188.550589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.550589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.610118 (E_RNA)
where:
Base-Base interactions energy: -131.837
where: short stacking energy: -63.916
Base-Backbone interact. energy: -0.000
local terms energy: -56.772885
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -15.625
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: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -188.821564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821564 (E_RNA)
where:
Base-Base interactions energy: -132.318
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.335
local terms energy: -56.168120
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -11.948
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: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -182.210564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.210564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386436 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -50.095
Base-Backbone interact. energy: -0.177
local terms energy: -52.599629
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -10.740
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: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -182.290220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.290220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.322185 (E_RNA)
where:
Base-Base interactions energy: -126.369
where: short stacking energy: -52.898
Base-Backbone interact. energy: -0.125
local terms energy: -55.828452
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -15.486
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: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -180.202952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.202952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.219370 (E_RNA)
where:
Base-Base interactions energy: -121.654
where: short stacking energy: -51.467
Base-Backbone interact. energy: -0.000
local terms energy: -58.565415
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -15.002
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -167.928625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.928625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.928625 (E_RNA)
where:
Base-Base interactions energy: -119.137
where: short stacking energy: -48.713
Base-Backbone interact. energy: -0.052
local terms energy: -48.739741
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -176.892639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.892639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.223091 (E_RNA)
where:
Base-Base interactions energy: -113.340
where: short stacking energy: -50.182
Base-Backbone interact. energy: -0.002
local terms energy: -63.881563
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -15.541
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -166.387605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.387605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.398081 (E_RNA)
where:
Base-Base interactions energy: -116.355
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.266
local terms energy: -49.777504
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -11.326
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: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -177.875021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.875021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.100495 (E_RNA)
where:
Base-Base interactions energy: -122.357
where: short stacking energy: -58.384
Base-Backbone interact. energy: -0.086
local terms energy: -55.656901
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -15.525
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: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -192.447412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.447412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487926 (E_RNA)
where:
Base-Base interactions energy: -137.357
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.032
local terms energy: -55.099212
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -13.889
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -190.796608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.796608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842398 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -61.819
Base-Backbone interact. energy: -0.001
local terms energy: -56.562456
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -15.176
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: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -191.485546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.485546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.534694 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.109
local terms energy: -59.665797
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -13.461
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: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -179.222462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.222462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.252496 (E_RNA)
where:
Base-Base interactions energy: -127.184
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.334
local terms energy: -51.734563
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -9.879
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: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -182.928106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.928106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.975672 (E_RNA)
where:
Base-Base interactions energy: -128.287
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.183
local terms energy: -54.505301
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -16.495
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: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -175.025561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114183 (E_RNA)
where:
Base-Base interactions energy: -119.999
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.003
local terms energy: -55.112229
where:
bonds (distance) C4'-P energy: -7.638
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -13.673
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -169.165979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.165979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.165979 (E_RNA)
where:
Base-Base interactions energy: -119.128
where: short stacking energy: -49.412
Base-Backbone interact. energy: 0.862
local terms energy: -50.899959
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -5.057
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -174.561432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.561432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.746554 (E_RNA)
where:
Base-Base interactions energy: -117.426
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.211
local terms energy: -57.109599
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -16.310
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: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -167.103875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.103875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.134063 (E_RNA)
where:
Base-Base interactions energy: -114.839
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.003
local terms energy: -52.292008
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -12.332
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: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -158.648994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.648994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922321 (E_RNA)
where:
Base-Base interactions energy: -113.412
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.026
local terms energy: -45.484444
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -11.132
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: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -191.389992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.389992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422849 (E_RNA)
where:
Base-Base interactions energy: -131.632
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.002
local terms energy: -59.788530
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -14.365
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: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -193.116368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.116368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.116368 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.007
local terms energy: -60.107775
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -15.117
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: 93
Temperature: 1.000000
Total energy: -190.709250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.807091 (E_RNA)
where:
Base-Base interactions energy: -134.197
where: short stacking energy: -55.871
Base-Backbone interact. energy: -1.658
local terms energy: -54.952210
where:
bonds (distance) C4'-P energy: -8.060
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -14.049
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: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -191.375813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.375813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.637456 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.479
local terms energy: -58.904392
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -13.648
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: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -178.712138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.712138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056358 (E_RNA)
where:
Base-Base interactions energy: -121.257
where: short stacking energy: -46.690
Base-Backbone interact. energy: -0.126
local terms energy: -57.672811
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -9.363
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -178.253520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253520 (E_RNA)
where:
Base-Base interactions energy: -119.577
where: short stacking energy: -54.086
Base-Backbone interact. energy: -0.683
local terms energy: -57.993513
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -180.135102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.209243 (E_RNA)
where:
Base-Base interactions energy: -120.253
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.001
local terms energy: -59.955932
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -14.820
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: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -163.480231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.480231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.518259 (E_RNA)
where:
Base-Base interactions energy: -111.355
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.147
local terms energy: -52.015956
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -9.184
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: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -161.408890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.408890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.408890 (E_RNA)
where:
Base-Base interactions energy: -119.257
where: short stacking energy: -47.516
Base-Backbone interact. energy: -0.003
local terms energy: -42.148963
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -7.635
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -161.537207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.537207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.537207 (E_RNA)
where:
Base-Base interactions energy: -116.285
where: short stacking energy: -46.159
Base-Backbone interact. energy: 0.627
local terms energy: -45.878943
where:
bonds (distance) C4'-P energy: -7.517
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -195.266452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.266452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.273038 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.050
local terms energy: -64.279144
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -15.870
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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -190.330622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.330622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.367875 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -61.777
Base-Backbone interact. energy: -0.003
local terms energy: -59.597888
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -18.021
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: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -186.765236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.765236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.888599 (E_RNA)
where:
Base-Base interactions energy: -129.737
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.014
local terms energy: -57.137754
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.317
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: 94
Temperature: 1.050000
Total energy: -184.311969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.321530 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.015
local terms energy: -58.854645
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -14.016
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: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -177.111645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.111645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.163730 (E_RNA)
where:
Base-Base interactions energy: -130.281
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.006
local terms energy: -46.876823
where:
bonds (distance) C4'-P energy: -6.757
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -5.033
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -12.642
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -179.884233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.884233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.933974 (E_RNA)
where:
Base-Base interactions energy: -120.328
where: short stacking energy: -51.068
Base-Backbone interact. energy: -0.000
local terms energy: -59.606339
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -15.543
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: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -177.628904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.628904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.716479 (E_RNA)
where:
Base-Base interactions energy: -120.418
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.315
local terms energy: -56.983702
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -10.349
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -167.674920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.674920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.848293 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.195
local terms energy: -49.917318
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -12.572
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: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -167.494323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.494323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.650650 (E_RNA)
where:
Base-Base interactions energy: -120.468
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.073
local terms energy: -47.109924
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -10.952
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: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -155.459470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.459470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.177989 (E_RNA)
where:
Base-Base interactions energy: -107.166
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.969
local terms energy: -48.042691
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -7.653
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -12.911
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: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -193.784644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.799654 (E_RNA)
where:
Base-Base interactions energy: -128.844
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.218
local terms energy: -64.737402
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -16.252
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: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -193.435821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.435821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.506772 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -59.500
Base-Backbone interact. energy: -0.321
local terms energy: -61.924321
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -17.494
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: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -185.149547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.149547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165278 (E_RNA)
where:
Base-Base interactions energy: -126.704
where: short stacking energy: -53.447
Base-Backbone interact. energy: 0.436
local terms energy: -58.897622
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -15.842
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: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -181.791523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.791523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.805326 (E_RNA)
where:
Base-Base interactions energy: -126.463
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.731
local terms energy: -54.612211
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -14.955
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: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -187.987692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.987692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.026716 (E_RNA)
where:
Base-Base interactions energy: -126.733
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.000
local terms energy: -61.293144
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -16.612
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -168.784480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.784480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.842343 (E_RNA)
where:
Base-Base interactions energy: -120.087
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.607
local terms energy: -48.148030
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -5.804
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -14.425
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: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -173.818734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.818734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.886630 (E_RNA)
where:
Base-Base interactions energy: -117.709
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.003
local terms energy: -56.174519
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -14.422
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: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -170.194443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.194443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.207706 (E_RNA)
where:
Base-Base interactions energy: -120.351
where: short stacking energy: -52.626
Base-Backbone interact. energy: -0.005
local terms energy: -49.851579
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -11.878
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -170.330311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.330311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.482770 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.000
local terms energy: -49.910375
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -12.697
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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -164.183857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.183857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.501590 (E_RNA)
where:
Base-Base interactions energy: -116.252
where: short stacking energy: -50.679
Base-Backbone interact. energy: -0.183
local terms energy: -48.066678
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -4.674
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -13.229
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: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -190.097368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.217185 (E_RNA)
where:
Base-Base interactions energy: -130.719
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.019
local terms energy: -59.479408
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -16.262
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: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -192.222157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.222157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.228636 (E_RNA)
where:
Base-Base interactions energy: -128.315
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.099
local terms energy: -63.814364
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -15.202
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: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -186.390351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.390351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.470833 (E_RNA)
where:
Base-Base interactions energy: -130.755
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.001
local terms energy: -55.715127
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -15.963
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: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -181.468090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480748 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -52.638
Base-Backbone interact. energy: -0.103
local terms energy: -56.171654
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -14.684
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: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -175.763226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.763226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.884169 (E_RNA)
where:
Base-Base interactions energy: -122.915
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.002
local terms energy: -52.967337
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -16.878
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: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -178.103142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.103142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384249 (E_RNA)
where:
Base-Base interactions energy: -125.176
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.087
local terms energy: -53.121986
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -12.912
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: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -170.082305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.082305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.082305 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -45.410
Base-Backbone interact. energy: -0.314
local terms energy: -46.662768
where:
bonds (distance) C4'-P energy: -6.889
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -171.694564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.694564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.703966 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.008
local terms energy: -50.840131
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -7.439
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -11.171
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: 9, replica: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -166.045538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.045538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.280205 (E_RNA)
where:
Base-Base interactions energy: -113.054
where: short stacking energy: -45.908
Base-Backbone interact. energy: -0.027
local terms energy: -53.198870
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -10.575
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: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -165.127061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.127061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.493803 (E_RNA)
where:
Base-Base interactions energy: -112.067
where: short stacking energy: -49.057
Base-Backbone interact. energy: -0.622
local terms energy: -52.804893
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -13.328
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: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -191.262773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.262773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.283373 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -59.078
Base-Backbone interact. energy: -0.003
local terms energy: -62.109700
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -16.489
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: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -191.285825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.285825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.366175 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.000
local terms energy: -56.959944
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -14.940
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: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -185.048672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.048672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.054501 (E_RNA)
where:
Base-Base interactions energy: -129.985
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.038
local terms energy: -55.031353
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -14.499
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: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -178.926122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.077934 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.259
local terms energy: -58.984910
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -12.604
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: 97
Temperature: 1.100000
Total energy: -177.720998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.720998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.793745 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.011
local terms energy: -55.521290
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -14.890
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: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -179.574108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.574108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.604234 (E_RNA)
where:
Base-Base interactions energy: -124.962
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.027
local terms energy: -54.615534
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -11.454
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: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -176.329192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.329192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.340688 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.040
local terms energy: -47.949802
where:
bonds (distance) C4'-P energy: -4.715
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.414
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: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -164.590511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.590511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.598860 (E_RNA)
where:
Base-Base interactions energy: -115.008
where: short stacking energy: -47.235
Base-Backbone interact. energy: -0.862
local terms energy: -48.728415
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -12.207
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -167.678333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.678333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.703668 (E_RNA)
where:
Base-Base interactions energy: -117.589
where: short stacking energy: -50.626
Base-Backbone interact. energy: 0.461
local terms energy: -50.575855
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -10.425
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: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -158.431362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.431362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.906665 (E_RNA)
where:
Base-Base interactions energy: -112.269
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.256
local terms energy: -46.381013
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -8.819
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: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -194.068617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.068617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.181271 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.003
local terms energy: -64.383946
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -18.432
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -190.588132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.658323 (E_RNA)
where:
Base-Base interactions energy: -128.900
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.024
local terms energy: -61.734460
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -13.988
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: 98
Temperature: 1.000000
Total energy: -187.459730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.459730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.500720 (E_RNA)
where:
Base-Base interactions energy: -127.016
where: short stacking energy: -51.940
Base-Backbone interact. energy: 0.296
local terms energy: -60.780651
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -14.439
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: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -177.992121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.992121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.996605 (E_RNA)
where:
Base-Base interactions energy: -124.781
where: short stacking energy: -54.244
Base-Backbone interact. energy: -0.359
local terms energy: -52.857435
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -11.382
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -186.556451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.556451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.676335 (E_RNA)
where:
Base-Base interactions energy: -124.494
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.002
local terms energy: -62.180121
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -15.961
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: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -174.555273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.555273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.674502 (E_RNA)
where:
Base-Base interactions energy: -120.287
where: short stacking energy: -52.593
Base-Backbone interact. energy: -0.008
local terms energy: -54.379494
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -11.195
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: 98
Temperature: 1.200000
Total energy: -175.849669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.849669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.849669 (E_RNA)
where:
Base-Base interactions energy: -124.427
where: short stacking energy: -49.756
Base-Backbone interact. energy: -0.372
local terms energy: -51.051439
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -10.794
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -174.182213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.182213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.182213 (E_RNA)
where:
Base-Base interactions energy: -115.495
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.100
local terms energy: -58.587164
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -165.281470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.281470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.464439 (E_RNA)
where:
Base-Base interactions energy: -115.069
where: short stacking energy: -46.530
Base-Backbone interact. energy: -0.000
local terms energy: -50.395465
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.114
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: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -164.735552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.735552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.742377 (E_RNA)
where:
Base-Base interactions energy: -112.965
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.026
local terms energy: -51.751569
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -14.692
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -195.775546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.802773 (E_RNA)
where:
Base-Base interactions energy: -133.104
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.041
local terms energy: -62.658489
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -15.413
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -192.404993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.404993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.411361 (E_RNA)
where:
Base-Base interactions energy: -128.753
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.004
local terms energy: -63.654092
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -16.171
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -177.977375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.977375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.010356 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -49.268
Base-Backbone interact. energy: -0.395
local terms energy: -56.272325
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -13.943
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -183.629328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.629328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.705739 (E_RNA)
where:
Base-Base interactions energy: -126.921
where: short stacking energy: -61.242
Base-Backbone interact. energy: -0.003
local terms energy: -56.781807
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -13.569
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: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -175.499770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.499770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.508650 (E_RNA)
where:
Base-Base interactions energy: -122.355
where: short stacking energy: -51.780
Base-Backbone interact. energy: -0.004
local terms energy: -53.149383
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -11.869
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: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -182.987683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.987683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.128103 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.011
local terms energy: -63.203068
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.457
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -179.543535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.543535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.551746 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.474
local terms energy: -50.111594
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -13.191
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: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -170.372288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.372288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.892433 (E_RNA)
where:
Base-Base interactions energy: -119.820
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.024
local terms energy: -51.048782
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -14.920
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: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -163.225836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.225836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.254340 (E_RNA)
where:
Base-Base interactions energy: -114.095
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.035
local terms energy: -49.124372
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -7.972
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: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -159.811498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.811498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.885138 (E_RNA)
where:
Base-Base interactions energy: -113.914
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.397
local terms energy: -45.574392
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -7.296
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -10.182
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: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -196.989900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.989900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.113182 (E_RNA)
where:
Base-Base interactions energy: -135.465
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.023
local terms energy: -61.625724
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.950
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -190.320061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.320061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.459224 (E_RNA)
where:
Base-Base interactions energy: -130.871
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.390
local terms energy: -59.198526
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -15.374
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: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -185.214954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.214954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.249791 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.003
local terms energy: -59.722002
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -13.816
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: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -180.139651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.139651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.233700 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.001
local terms energy: -52.188502
where:
bonds (distance) C4'-P energy: -2.521
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.111
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: 100
Temperature: 1.100000
Total energy: -171.911189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.911189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.911189 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -47.895
Base-Backbone interact. energy: -0.221
local terms energy: -58.376520
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -179.010463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.010463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021688 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.008
local terms energy: -51.337797
where:
bonds (distance) C4'-P energy: -6.433
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -15.724
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -168.061919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.064925 (E_RNA)
where:
Base-Base interactions energy: -114.068
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.297
local terms energy: -53.699539
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -8.111
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.133
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: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -173.930114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.930114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.003293 (E_RNA)
where:
Base-Base interactions energy: -121.140
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.005
local terms energy: -52.858218
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -15.518
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -168.475170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.475170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.514864 (E_RNA)
where:
Base-Base interactions energy: -122.500
where: short stacking energy: -45.563
Base-Backbone interact. energy: -0.289
local terms energy: -45.725715
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -9.586
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: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -167.527280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.527280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.577306 (E_RNA)
where:
Base-Base interactions energy: -117.174
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.100
local terms energy: -50.303323
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -7.470
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -12.351
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: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -194.687356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.687356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.687356 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.003
local terms energy: -63.593398
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -14.350
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: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -187.074464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.074464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.353281 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -55.869
Base-Backbone interact. energy: -1.232
local terms energy: -57.342436
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -14.797
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: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -189.199708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.199708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.243370 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.013
local terms energy: -61.142693
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -16.243
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: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -178.685971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.685971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.733115 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.453
local terms energy: -50.853770
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -9.867
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: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -180.238321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.238321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.311143 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.001
local terms energy: -52.223698
where:
bonds (distance) C4'-P energy: -6.094
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -12.698
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: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -176.776542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.147833 (E_RNA)
where:
Base-Base interactions energy: -122.663
where: short stacking energy: -51.249
Base-Backbone interact. energy: -0.061
local terms energy: -54.424379
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.965
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: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -175.677845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.677845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732840 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.001
local terms energy: -59.930613
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -16.209
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: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -168.334196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.334196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.582707 (E_RNA)
where:
Base-Base interactions energy: -117.380
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.029
local terms energy: -51.173916
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -12.862
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: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -163.329196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.329196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.606690 (E_RNA)
where:
Base-Base interactions energy: -114.840
where: short stacking energy: -49.503
Base-Backbone interact. energy: 0.570
local terms energy: -49.337225
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -14.190
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: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -168.952203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.952203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.008257 (E_RNA)
where:
Base-Base interactions energy: -119.302
where: short stacking energy: -51.910
Base-Backbone interact. energy: -0.846
local terms energy: -48.861066
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -6.604
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -14.316
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: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -193.235017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.235017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.260477 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.007
local terms energy: -61.216209
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.600
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: 102
Temperature: 0.950000
Total energy: -190.218544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.218544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.412750 (E_RNA)
where:
Base-Base interactions energy: -127.748
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.021
local terms energy: -62.643754
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -17.186
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -187.077401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.077401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.374547 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.799
local terms energy: -54.681585
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -12.446
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: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -191.869895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.888040 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.014
local terms energy: -60.788249
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.920
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: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -180.580408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.580408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.656830 (E_RNA)
where:
Base-Base interactions energy: -128.964
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.531
local terms energy: -51.162098
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -14.468
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: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -178.293434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.293434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.322116 (E_RNA)
where:
Base-Base interactions energy: -120.898
where: short stacking energy: -55.328
Base-Backbone interact. energy: -0.102
local terms energy: -57.321789
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -14.808
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: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -177.673153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.673153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.681945 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -56.962
Base-Backbone interact. energy: -0.239
local terms energy: -53.305695
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -13.093
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: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -169.861822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.861822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.000802 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -51.862
Base-Backbone interact. energy: 2.632
local terms energy: -50.000107
where:
bonds (distance) C4'-P energy: -6.771
bonds (distance) P-C4' energy: -8.677
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -13.021
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -161.264556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.264556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.302533 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -48.783
Base-Backbone interact. energy: -0.002
local terms energy: -50.808336
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -12.046
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: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -159.440952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.440952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.515516 (E_RNA)
where:
Base-Base interactions energy: -110.769
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.021
local terms energy: -48.725492
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -10.630
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: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -195.139342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.139342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.162663 (E_RNA)
where:
Base-Base interactions energy: -135.024
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.039
local terms energy: -60.099840
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.096
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: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -193.257839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362008 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.024
local terms energy: -65.091845
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -16.081
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: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -191.774861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.784780 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.477
local terms energy: -64.261144
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.061
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: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -195.901754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.901754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.936966 (E_RNA)
where:
Base-Base interactions energy: -130.652
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.725
local terms energy: -64.560220
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -15.572
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: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -178.270068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.270068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815551 (E_RNA)
where:
Base-Base interactions energy: -120.542
where: short stacking energy: -54.314
Base-Backbone interact. energy: -0.268
local terms energy: -58.004929
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -12.995
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: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -179.949255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.949255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.949255 (E_RNA)
where:
Base-Base interactions energy: -126.610
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.002
local terms energy: -53.337225
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -15.171
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -181.280632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.280632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.355282 (E_RNA)
where:
Base-Base interactions energy: -126.904
where: short stacking energy: -55.351
Base-Backbone interact. energy: -0.340
local terms energy: -54.111288
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -13.163
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -167.057492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.057492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.272580 (E_RNA)
where:
Base-Base interactions energy: -113.902
where: short stacking energy: -54.790
Base-Backbone interact. energy: -0.002
local terms energy: -53.368547
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -16.848
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: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -163.730699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.730699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.922691 (E_RNA)
where:
Base-Base interactions energy: -108.141
where: short stacking energy: -49.490
Base-Backbone interact. energy: -0.193
local terms energy: -55.588250
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -12.169
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: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -165.965028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.965028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.056579 (E_RNA)
where:
Base-Base interactions energy: -110.292
where: short stacking energy: -45.738
Base-Backbone interact. energy: -0.016
local terms energy: -55.749323
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -11.115
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: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -190.459232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.459232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.478849 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.013
local terms energy: -64.370170
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -189.980870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.980870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.980870 (E_RNA)
where:
Base-Base interactions energy: -131.119
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.003
local terms energy: -58.858324
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -15.091
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: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -185.186994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.186994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.201022 (E_RNA)
where:
Base-Base interactions energy: -130.185
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.286
local terms energy: -54.729997
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -15.296
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: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -179.655849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.655849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708674 (E_RNA)
where:
Base-Base interactions energy: -121.108
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.034
local terms energy: -58.566478
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -13.650
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: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -178.207770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.207770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.310652 (E_RNA)
where:
Base-Base interactions energy: -125.538
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.004
local terms energy: -52.768561
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -12.699
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: 104
Temperature: 1.150000
Total energy: -178.780281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.780281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.808597 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.004
local terms energy: -54.736308
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -15.551
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -173.595099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.595099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979413 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.781
local terms energy: -49.672802
where:
bonds (distance) C4'-P energy: -5.366
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -13.793
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: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -161.897312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.897312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.966818 (E_RNA)
where:
Base-Base interactions energy: -110.706
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.863
local terms energy: -50.397055
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -10.099
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: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -164.815157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.815157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.815157 (E_RNA)
where:
Base-Base interactions energy: -119.053
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.013
local terms energy: -45.749828
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -168.360514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.360514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390262 (E_RNA)
where:
Base-Base interactions energy: -118.261
where: short stacking energy: -53.524
Base-Backbone interact. energy: -0.001
local terms energy: -50.128023
where:
bonds (distance) C4'-P energy: -7.975
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -11.888
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: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -192.650692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.650692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.650692 (E_RNA)
where:
Base-Base interactions energy: -141.692
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.120
local terms energy: -50.838598
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -9.565
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: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -187.685666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.696325 (E_RNA)
where:
Base-Base interactions energy: -129.236
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.001
local terms energy: -58.458777
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -15.647
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: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -191.278742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.278742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.299859 (E_RNA)
where:
Base-Base interactions energy: -130.722
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.008
local terms energy: -60.569394
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -14.121
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -183.512035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.512035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.628301 (E_RNA)
where:
Base-Base interactions energy: -125.306
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.204
local terms energy: -58.118758
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -13.117
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: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.239587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.239587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.241704 (E_RNA)
where:
Base-Base interactions energy: -123.436
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.092
local terms energy: -57.713691
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -163.462014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.462014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.523130 (E_RNA)
where:
Base-Base interactions energy: -109.621
where: short stacking energy: -44.941
Base-Backbone interact. energy: -0.002
local terms energy: -53.899576
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -14.045
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: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -172.697075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.697075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.891522 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.047
local terms energy: -53.704080
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -13.488
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: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -159.938509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.938509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.161945 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.617
local terms energy: -45.430567
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -7.881
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: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -167.040016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.040016 (E_RNA)
where:
Base-Base interactions energy: -117.250
where: short stacking energy: -47.222
Base-Backbone interact. energy: -0.029
local terms energy: -49.760939
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -171.409485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.409485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483114 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.007
local terms energy: -55.272501
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -11.303
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: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -195.822584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.822584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.823800 (E_RNA)
where:
Base-Base interactions energy: -139.684
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.715
local terms energy: -55.425273
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -10.565
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: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -192.759225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.759225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.767576 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.011
local terms energy: -62.245688
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -15.450
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: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -187.456661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.456661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.484650 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -58.265
Base-Backbone interact. energy: -0.002
local terms energy: -57.833659
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -16.638
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: 106
Temperature: 1.050000
Total energy: -183.406957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.472316 (E_RNA)
where:
Base-Base interactions energy: -121.276
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.848
local terms energy: -61.348333
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -13.574
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: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -185.765236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.765236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.765236 (E_RNA)
where:
Base-Base interactions energy: -124.011
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.002
local terms energy: -61.751587
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -171.960394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.960394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.011836 (E_RNA)
where:
Base-Base interactions energy: -113.829
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.001
local terms energy: -58.181666
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -12.583
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: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -182.482165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.482165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.561358 (E_RNA)
where:
Base-Base interactions energy: -129.419
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.000
local terms energy: -53.141974
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -14.447
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: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -171.212216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.212216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.274291 (E_RNA)
where:
Base-Base interactions energy: -126.200
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.035
local terms energy: -45.039699
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -7.620
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -9.983
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: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -171.943167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.943167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.944448 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.009
local terms energy: -56.646882
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -13.906
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: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -169.511498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.511498 (E_RNA)
where:
Base-Base interactions energy: -118.112
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.041
local terms energy: -51.358328
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -195.828783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.828783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.904276 (E_RNA)
where:
Base-Base interactions energy: -143.162
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.007
local terms energy: -52.735745
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -10.988
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: 107
Temperature: 0.950000
Total energy: -192.708936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.754757 (E_RNA)
where:
Base-Base interactions energy: -129.296
where: short stacking energy: -57.116
Base-Backbone interact. energy: -0.011
local terms energy: -63.448115
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -14.637
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: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -184.077257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.077257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.200094 (E_RNA)
where:
Base-Base interactions energy: -127.090
where: short stacking energy: -61.837
Base-Backbone interact. energy: -0.002
local terms energy: -57.107662
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -16.237
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: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -184.692954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.692954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.711088 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -52.766
Base-Backbone interact. energy: -0.022
local terms energy: -60.816583
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -15.644
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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -180.643485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.643485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.816318 (E_RNA)
where:
Base-Base interactions energy: -129.172
where: short stacking energy: -51.439
Base-Backbone interact. energy: -0.086
local terms energy: -51.558445
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -11.744
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -183.613343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.803291 (E_RNA)
where:
Base-Base interactions energy: -127.294
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.202
local terms energy: -56.307749
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -16.938
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: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -177.041075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.041075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191452 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.000
local terms energy: -58.112151
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -14.074
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: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -166.675721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.675721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.786227 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -46.111
Base-Backbone interact. energy: -0.002
local terms energy: -52.279634
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -10.290
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -164.421082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.421082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.433499 (E_RNA)
where:
Base-Base interactions energy: -118.730
where: short stacking energy: -49.228
Base-Backbone interact. energy: -0.016
local terms energy: -45.688202
where:
bonds (distance) C4'-P energy: -6.735
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -12.383
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: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -162.326582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.326582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.384691 (E_RNA)
where:
Base-Base interactions energy: -118.961
where: short stacking energy: -45.001
Base-Backbone interact. energy: -0.118
local terms energy: -43.306008
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -5.299
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -7.938
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: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -195.199560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.199560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.199560 (E_RNA)
where:
Base-Base interactions energy: -131.566
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.003
local terms energy: -63.630125
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -17.417
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: 108
Temperature: 0.950000
Total energy: -191.366704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.366704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.473529 (E_RNA)
where:
Base-Base interactions energy: -134.578
where: short stacking energy: -54.709
Base-Backbone interact. energy: -0.426
local terms energy: -56.469176
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -10.823
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: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -191.388031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.388031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.472469 (E_RNA)
where:
Base-Base interactions energy: -131.498
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.599
local terms energy: -59.375377
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -16.724
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -186.849530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.849530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.849530 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.002
local terms energy: -58.805736
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -15.148
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -174.980343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.017797 (E_RNA)
where:
Base-Base interactions energy: -125.833
where: short stacking energy: -54.810
Base-Backbone interact. energy: -0.001
local terms energy: -49.184624
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -12.276
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: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -174.647719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.647719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.647719 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.010
local terms energy: -52.371728
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -13.125
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: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -185.238491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.238491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.238491 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.033
local terms energy: -61.597971
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -174.007301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.007301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.032953 (E_RNA)
where:
Base-Base interactions energy: -122.264
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.077
local terms energy: -51.692180
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -10.940
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -171.146093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.146093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.257625 (E_RNA)
where:
Base-Base interactions energy: -118.416
where: short stacking energy: -52.563
Base-Backbone interact. energy: -0.057
local terms energy: -52.784866
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -15.874
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: 108
Temperature: 1.350000
Total energy: -166.660039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.660039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.680545 (E_RNA)
where:
Base-Base interactions energy: -123.023
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.276
local terms energy: -43.381649
where:
bonds (distance) C4'-P energy: -6.748
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -9.665
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: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -192.315425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.485028 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.006
local terms energy: -63.545500
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -16.144
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: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -198.151031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.151031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151031 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.028
local terms energy: -57.085069
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -11.779
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: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -186.074005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.074005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.284264 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.604
local terms energy: -58.686162
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -14.312
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: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -190.353892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.353892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.353892 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.430
local terms energy: -52.416884
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -16.228
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -177.315536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.315536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.421415 (E_RNA)
where:
Base-Base interactions energy: -122.110
where: short stacking energy: -54.703
Base-Backbone interact. energy: -1.058
local terms energy: -54.253027
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -13.048
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: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -185.594961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.594961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.741050 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -59.334
Base-Backbone interact. energy: 0.639
local terms energy: -58.188480
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -16.381
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: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -176.960016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.960016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.988002 (E_RNA)
where:
Base-Base interactions energy: -127.692
where: short stacking energy: -52.977
Base-Backbone interact. energy: -0.163
local terms energy: -49.133828
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -8.446
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -13.101
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: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -169.667648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.667648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.667648 (E_RNA)
where:
Base-Base interactions energy: -116.554
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.001
local terms energy: -53.113132
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -163.089334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.089334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.089334 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.049
local terms energy: -48.187586
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -158.470098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.470098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.633806 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.270
local terms energy: -48.274666
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -9.714
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -197.157894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.157894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.207782 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.077
local terms energy: -55.969699
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -11.766
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -186.293955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.293955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.467779 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.000
local terms energy: -59.285117
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -16.132
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -186.970266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.970266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.970266 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.139
local terms energy: -53.035397
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -11.422
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: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -182.672124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.672124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.889096 (E_RNA)
where:
Base-Base interactions energy: -124.640
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.003
local terms energy: -58.246842
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -15.424
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -172.759919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.759919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.905875 (E_RNA)
where:
Base-Base interactions energy: -118.134
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.118
local terms energy: -54.654314
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -13.075
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: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -177.311496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.311496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.336005 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.056
local terms energy: -51.134606
where:
bonds (distance) C4'-P energy: -6.228
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -12.459
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: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -173.151475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.151475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.158905 (E_RNA)
where:
Base-Base interactions energy: -119.270
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.012
local terms energy: -53.877877
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -7.968
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -11.361
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: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -158.466051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.466051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.538264 (E_RNA)
where:
Base-Base interactions energy: -111.308
where: short stacking energy: -48.473
Base-Backbone interact. energy: -0.122
local terms energy: -47.108390
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -7.718
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: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -166.288985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.288985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.357818 (E_RNA)
where:
Base-Base interactions energy: -114.496
where: short stacking energy: -49.584
Base-Backbone interact. energy: -0.057
local terms energy: -51.804718
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -13.574
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: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -165.145741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.145741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.197780 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -48.261
Base-Backbone interact. energy: -0.057
local terms energy: -45.225168
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -10.031
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: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -192.228827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.228827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.280618 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.330
local terms energy: -57.748531
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -11.046
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -191.610987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.610987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.610987 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.138
local terms energy: -58.276661
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -14.079
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: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -194.042470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.042470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.136145 (E_RNA)
where:
Base-Base interactions energy: -135.589
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.003
local terms energy: -58.543426
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -15.869
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: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -186.978723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.978723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.078927 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.015
local terms energy: -54.059344
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -11.892
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: 111
Temperature: 1.100000
Total energy: -181.010873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.010873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.017255 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.018
local terms energy: -53.971877
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -10.444
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: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -168.399094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.399094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.455177 (E_RNA)
where:
Base-Base interactions energy: -113.071
where: short stacking energy: -44.536
Base-Backbone interact. energy: 1.809
local terms energy: -57.193638
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -15.512
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -171.799357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824746 (E_RNA)
where:
Base-Base interactions energy: -120.731
where: short stacking energy: -48.675
Base-Backbone interact. energy: -0.307
local terms energy: -50.787377
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -11.237
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -164.212832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.212832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.339780 (E_RNA)
where:
Base-Base interactions energy: -111.765
where: short stacking energy: -44.542
Base-Backbone interact. energy: -0.054
local terms energy: -52.521070
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -12.695
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: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -173.854719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.854719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.953906 (E_RNA)
where:
Base-Base interactions energy: -116.297
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.072
local terms energy: -57.585567
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -14.888
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: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -164.044654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.044654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.186420 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.169
local terms energy: -41.912425
where:
bonds (distance) C4'-P energy: -6.202
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -5.139
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: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -194.816584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.929084 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.146
local terms energy: -60.779148
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -13.562
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: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -187.132642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.132642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.264020 (E_RNA)
where:
Base-Base interactions energy: -132.725
where: short stacking energy: -54.260
Base-Backbone interact. energy: 0.188
local terms energy: -54.726792
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -9.168
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: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -187.758935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.758935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.781767 (E_RNA)
where:
Base-Base interactions energy: -129.350
where: short stacking energy: -60.124
Base-Backbone interact. energy: -0.548
local terms energy: -57.883403
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -13.616
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: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -184.299994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.299994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.499467 (E_RNA)
where:
Base-Base interactions energy: -127.056
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.000
local terms energy: -57.442883
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -17.014
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: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -182.840722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.840722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.846496 (E_RNA)
where:
Base-Base interactions energy: -127.955
where: short stacking energy: -58.825
Base-Backbone interact. energy: -0.650
local terms energy: -54.241096
where:
bonds (distance) C4'-P energy: -6.384
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -14.887
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: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -182.238402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.238402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.290094 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.551
local terms energy: -58.885910
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.644
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: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -172.225990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.225990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.301987 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.000
local terms energy: -43.666630
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -4.752
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -13.302
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -175.220692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.268799 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.632
local terms energy: -56.855021
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -12.112
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: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -165.482576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.482576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.529475 (E_RNA)
where:
Base-Base interactions energy: -110.970
where: short stacking energy: -46.464
Base-Backbone interact. energy: -0.038
local terms energy: -54.521157
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -15.302
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -171.745646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.745646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.905799 (E_RNA)
where:
Base-Base interactions energy: -119.681
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.002
local terms energy: -52.223117
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -11.804
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: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -193.463261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.463261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494495 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.060
local terms energy: -58.444847
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -13.580
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: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -188.201750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.201750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.201750 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.005
local terms energy: -60.525283
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -15.352
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -187.902608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.979349 (E_RNA)
where:
Base-Base interactions energy: -128.815
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.160
local terms energy: -59.004466
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -11.133
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -188.408040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.408040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.408040 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.001
local terms energy: -62.096028
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -13.731
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -182.570023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.570023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.580711 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.001
local terms energy: -59.321365
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -16.303
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: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -174.387137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.387137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.460896 (E_RNA)
where:
Base-Base interactions energy: -125.643
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.002
local terms energy: -48.816343
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -13.494
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -175.865352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.865352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.927680 (E_RNA)
where:
Base-Base interactions energy: -125.335
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.008
local terms energy: -50.585504
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -10.115
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -165.445787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.445787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.526764 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -45.464
Base-Backbone interact. energy: -0.258
local terms energy: -56.226472
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -12.028
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -170.887637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.887637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.928652 (E_RNA)
where:
Base-Base interactions energy: -118.881
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.027
local terms energy: -52.020670
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -4.800
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -14.215
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -163.010483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.010483 (E_RNA)
where:
Base-Base interactions energy: -111.516
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.095
local terms energy: -51.399820
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -188.497284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.497284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717943 (E_RNA)
where:
Base-Base interactions energy: -129.412
where: short stacking energy: -53.930
Base-Backbone interact. energy: -0.187
local terms energy: -59.119005
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -12.797
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: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -189.483897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.483897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.483897 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.022
local terms energy: -57.339694
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -13.950
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -188.561724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.561724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.653963 (E_RNA)
where:
Base-Base interactions energy: -130.307
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.005
local terms energy: -58.341655
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -17.472
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: 114
Temperature: 1.050000
Total energy: -182.470242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.470242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.478403 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.004
local terms energy: -51.968100
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -14.312
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: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -179.066760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.066760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.069332 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -55.801
Base-Backbone interact. energy: -0.063
local terms energy: -58.288813
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -12.786
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: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -182.121802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.121802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.315512 (E_RNA)
where:
Base-Base interactions energy: -125.516
where: short stacking energy: -59.148
Base-Backbone interact. energy: 0.330
local terms energy: -57.129399
where:
bonds (distance) C4'-P energy: -7.804
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -14.713
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -172.290726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.290726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305049 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.029
local terms energy: -51.549820
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -12.916
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -174.941817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.941817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.019831 (E_RNA)
where:
Base-Base interactions energy: -121.743
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.001
local terms energy: -53.275858
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -13.134
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -160.728024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.728024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757684 (E_RNA)
where:
Base-Base interactions energy: -114.070
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.010
local terms energy: -46.677212
where:
bonds (distance) C4'-P energy: -5.606
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -12.322
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: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -161.700797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.700797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.979232 (E_RNA)
where:
Base-Base interactions energy: -113.200
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.004
local terms energy: -48.774590
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -10.440
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: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -189.432096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.432096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.473092 (E_RNA)
where:
Base-Base interactions energy: -133.100
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.639
local terms energy: -55.733818
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -13.881
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: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -190.242260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.242260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.246862 (E_RNA)
where:
Base-Base interactions energy: -131.986
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.041
local terms energy: -58.219462
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -15.667
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: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -186.283702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.439049 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.004
local terms energy: -57.424365
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -15.530
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: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -187.468103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.468103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.564188 (E_RNA)
where:
Base-Base interactions energy: -131.983
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.000
local terms energy: -55.581041
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -14.313
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -183.651494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.651494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.693722 (E_RNA)
where:
Base-Base interactions energy: -119.663
where: short stacking energy: -53.230
Base-Backbone interact. energy: 0.368
local terms energy: -64.399288
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -14.964
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: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -175.875649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.875649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960970 (E_RNA)
where:
Base-Base interactions energy: -130.631
where: short stacking energy: -62.246
Base-Backbone interact. energy: 0.190
local terms energy: -45.519233
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -14.407
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -171.564034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.564034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.646375 (E_RNA)
where:
Base-Base interactions energy: -116.333
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.054
local terms energy: -55.259557
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -11.660
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: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -167.238531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.238531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.281389 (E_RNA)
where:
Base-Base interactions energy: -115.254
where: short stacking energy: -48.440
Base-Backbone interact. energy: 0.589
local terms energy: -52.616296
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -10.018
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: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -167.363659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.363659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.543475 (E_RNA)
where:
Base-Base interactions energy: -114.134
where: short stacking energy: -52.665
Base-Backbone interact. energy: -0.005
local terms energy: -53.404610
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -16.270
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: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -172.081222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.081222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.202087 (E_RNA)
where:
Base-Base interactions energy: -117.966
where: short stacking energy: -54.689
Base-Backbone interact. energy: -0.079
local terms energy: -54.157542
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -14.380
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: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -191.669408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.669408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.669408 (E_RNA)
where:
Base-Base interactions energy: -134.311
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.086
local terms energy: -57.272664
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -13.076
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: 116
Temperature: 0.950000
Total energy: -190.504844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.600698 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -60.629
Base-Backbone interact. energy: -0.001
local terms energy: -56.697006
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -11.840
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: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -187.931141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.931141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.583425 (E_RNA)
where:
Base-Base interactions energy: -126.914
where: short stacking energy: -60.058
Base-Backbone interact. energy: -0.013
local terms energy: -61.656603
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -16.765
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: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -187.074008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.074008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.099659 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.015
local terms energy: -58.622062
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -15.526
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: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -182.849462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.905164 (E_RNA)
where:
Base-Base interactions energy: -126.124
where: short stacking energy: -51.829
Base-Backbone interact. energy: -0.049
local terms energy: -56.732958
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -11.230
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: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -179.732904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.732904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212778 (E_RNA)
where:
Base-Base interactions energy: -117.310
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.679
local terms energy: -62.224316
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -178.963962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.963962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.036347 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.000
local terms energy: -54.044049
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -15.498
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -174.351212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.351212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.351212 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.569
local terms energy: -55.271162
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -169.099520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.099520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.436985 (E_RNA)
where:
Base-Base interactions energy: -116.391
where: short stacking energy: -52.133
Base-Backbone interact. energy: -0.000
local terms energy: -53.045842
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -14.274
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: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -160.204425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.204425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.439932 (E_RNA)
where:
Base-Base interactions energy: -109.074
where: short stacking energy: -42.668
Base-Backbone interact. energy: -0.023
local terms energy: -51.343230
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -6.903
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: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -195.949479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.949479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964401 (E_RNA)
where:
Base-Base interactions energy: -137.094
where: short stacking energy: -55.770
Base-Backbone interact. energy: -0.133
local terms energy: -58.737710
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -11.529
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: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -194.389053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.389053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.434719 (E_RNA)
where:
Base-Base interactions energy: -139.212
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.008
local terms energy: -55.214518
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -15.595
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -192.078991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.133614 (E_RNA)
where:
Base-Base interactions energy: -131.552
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.156
local terms energy: -60.425294
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -14.782
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: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -186.090411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.090411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.090411 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -55.205
Base-Backbone interact. energy: -0.251
local terms energy: -56.951457
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -12.976
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: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -185.884091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.884091 (E_RNA)
where:
Base-Base interactions energy: -132.337
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.792
local terms energy: -52.755281
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -180.496060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.496060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.541747 (E_RNA)
where:
Base-Base interactions energy: -122.442
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.003
local terms energy: -58.096865
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -14.988
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -177.357783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.357783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.381818 (E_RNA)
where:
Base-Base interactions energy: -123.916
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.000
local terms energy: -53.465646
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -15.704
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -167.643906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.643906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.813854 (E_RNA)
where:
Base-Base interactions energy: -120.054
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.440
local terms energy: -47.319558
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -11.558
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: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -178.603232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.603232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.835762 (E_RNA)
where:
Base-Base interactions energy: -121.994
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.024
local terms energy: -56.817861
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -12.885
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: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -165.486159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.486159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.500053 (E_RNA)
where:
Base-Base interactions energy: -111.616
where: short stacking energy: -49.483
Base-Backbone interact. energy: 0.393
local terms energy: -54.276710
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -10.230
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: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -194.357450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.357450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.412160 (E_RNA)
where:
Base-Base interactions energy: -138.243
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.573
local terms energy: -55.595777
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -8.984
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.155
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: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -189.364325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.364325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.364325 (E_RNA)
where:
Base-Base interactions energy: -127.170
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.006
local terms energy: -62.188801
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -16.311
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -191.448613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448613 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.031
local terms energy: -58.941270
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.216
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -179.277300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.277300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.298177 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -45.312
Base-Backbone interact. energy: -0.109
local terms energy: -57.475726
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -14.203
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: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -180.528741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.528741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.650083 (E_RNA)
where:
Base-Base interactions energy: -124.423
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.021
local terms energy: -56.205684
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -8.351
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -14.820
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -180.223932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.223932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.477821 (E_RNA)
where:
Base-Base interactions energy: -121.211
where: short stacking energy: -56.435
Base-Backbone interact. energy: -0.001
local terms energy: -59.265191
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -15.791
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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -170.543737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.543737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.691085 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -52.691
Base-Backbone interact. energy: -0.368
local terms energy: -50.098432
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -7.104
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -13.761
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: 118
Temperature: 1.250000
Total energy: -178.234390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.234390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.240749 (E_RNA)
where:
Base-Base interactions energy: -124.193
where: short stacking energy: -56.741
Base-Backbone interact. energy: -0.002
local terms energy: -54.045945
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -16.414
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: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -171.377470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.377470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.439074 (E_RNA)
where:
Base-Base interactions energy: -115.746
where: short stacking energy: -49.274
Base-Backbone interact. energy: 0.222
local terms energy: -55.914743
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -12.462
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: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -160.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.889207 (E_RNA)
where:
Base-Base interactions energy: -113.041
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.272
local terms energy: -47.576214
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -12.992
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: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -190.727686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.727686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.759682 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.154
local terms energy: -54.115921
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.115
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -189.022179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.022179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.093355 (E_RNA)
where:
Base-Base interactions energy: -129.701
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.533
local terms energy: -58.859532
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -14.609
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: 119
Temperature: 1.000000
Total energy: -188.029083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.029083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.046787 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.007
local terms energy: -57.410059
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -15.612
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: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -184.060656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.060656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.060656 (E_RNA)
where:
Base-Base interactions energy: -123.227
where: short stacking energy: -57.860
Base-Backbone interact. energy: -0.101
local terms energy: -60.732320
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -11.108
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: 119
Temperature: 1.100000
Total energy: -179.587530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587940 (E_RNA)
where:
Base-Base interactions energy: -124.541
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.020
local terms energy: -55.026466
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -174.820839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.885010 (E_RNA)
where:
Base-Base interactions energy: -123.643
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.123
local terms energy: -51.119668
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -10.503
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: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -171.421200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.421200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.545470 (E_RNA)
where:
Base-Base interactions energy: -122.557
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.032
local terms energy: -48.957011
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -5.312
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -16.417
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: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -164.281739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.281739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.292667 (E_RNA)
where:
Base-Base interactions energy: -109.038
where: short stacking energy: -45.748
Base-Backbone interact. energy: -0.003
local terms energy: -55.251487
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -11.484
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: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -160.905219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.905219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.916912 (E_RNA)
where:
Base-Base interactions energy: -112.167
where: short stacking energy: -50.070
Base-Backbone interact. energy: -0.058
local terms energy: -48.691746
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -9.520
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: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -160.740428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.740428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.740428 (E_RNA)
where:
Base-Base interactions energy: -112.364
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.089
local terms energy: -48.287756
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -7.521
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -192.641310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.641310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.730642 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -51.886
Base-Backbone interact. energy: -0.303
local terms energy: -61.312150
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -12.685
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: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -192.905831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905831 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.573
local terms energy: -57.705836
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -185.455402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.455402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.468524 (E_RNA)
where:
Base-Base interactions energy: -126.191
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.002
local terms energy: -59.276057
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -11.808
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -181.883708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.883708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.990236 (E_RNA)
where:
Base-Base interactions energy: -126.434
where: short stacking energy: -58.795
Base-Backbone interact. energy: 0.097
local terms energy: -55.652894
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -14.700
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: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -186.308604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.308604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.351165 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.007
local terms energy: -57.530463
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -15.903
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -185.162949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.162949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.178757 (E_RNA)
where:
Base-Base interactions energy: -128.031
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.008
local terms energy: -57.139941
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -12.983
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: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -169.120987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.120987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.231788 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.240
local terms energy: -57.879526
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -18.345
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: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -172.996370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.996370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.996370 (E_RNA)
where:
Base-Base interactions energy: -120.802
where: short stacking energy: -52.083
Base-Backbone interact. energy: 0.169
local terms energy: -52.364096
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -166.686495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.686495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.735352 (E_RNA)
where:
Base-Base interactions energy: -123.656
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.665
local terms energy: -42.415158
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -9.517
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: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -169.273251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.295923 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -46.969
Base-Backbone interact. energy: -0.002
local terms energy: -56.968238
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -12.422
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: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -189.069066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.302339 (E_RNA)
where:
Base-Base interactions energy: -127.079
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.414
local terms energy: -61.809254
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -12.900
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -191.285138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.285138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.286368 (E_RNA)
where:
Base-Base interactions energy: -133.499
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.041
local terms energy: -57.745586
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -16.954
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -185.929108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.929108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.985876 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.116
local terms energy: -57.521172
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -14.033
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: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -188.253221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.253221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.275056 (E_RNA)
where:
Base-Base interactions energy: -127.477
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.007
local terms energy: -60.791685
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -15.286
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: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -180.110258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.110258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.190440 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -48.815
Base-Backbone interact. energy: -0.298
local terms energy: -61.310682
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -14.291
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: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -178.193685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.193685 (E_RNA)
where:
Base-Base interactions energy: -123.966
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.027
local terms energy: -54.200265
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -12.601
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -177.659256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.659256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700130 (E_RNA)
where:
Base-Base interactions energy: -120.319
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.673
local terms energy: -56.707860
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -8.192
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -14.714
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: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -178.658753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.658753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.675960 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.660
local terms energy: -48.372297
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -11.294
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -165.162374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.162374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.180440 (E_RNA)
where:
Base-Base interactions energy: -116.962
where: short stacking energy: -49.055
Base-Backbone interact. energy: 0.562
local terms energy: -48.780118
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -11.522
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: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -170.390787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.390787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.414152 (E_RNA)
where:
Base-Base interactions energy: -122.131
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.091
local terms energy: -48.192092
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -6.643
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -16.331
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -185.969497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.969497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.026136 (E_RNA)
where:
Base-Base interactions energy: -126.687
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.010
local terms energy: -59.329564
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -13.556
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: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -187.231608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.231608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.260543 (E_RNA)
where:
Base-Base interactions energy: -125.169
where: short stacking energy: -55.775
Base-Backbone interact. energy: -0.004
local terms energy: -62.087712
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -16.629
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: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -191.724075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.724075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774537 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.246
local terms energy: -63.196161
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -13.977
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: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -183.214894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.214894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.335294 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.409
local terms energy: -54.448490
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -12.943
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: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -182.660692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.703873 (E_RNA)
where:
Base-Base interactions energy: -121.984
where: short stacking energy: -57.260
Base-Backbone interact. energy: 0.284
local terms energy: -61.004122
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -16.158
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -179.334680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.334680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.630616 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -51.858
Base-Backbone interact. energy: -0.341
local terms energy: -57.051030
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -8.603
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -16.962
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -175.618118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.618118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.618118 (E_RNA)
where:
Base-Base interactions energy: -117.826
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.000
local terms energy: -57.791976
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -182.811884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.811884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.121093 (E_RNA)
where:
Base-Base interactions energy: -126.217
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.020
local terms energy: -56.884192
where:
bonds (distance) C4'-P energy: -8.583
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -16.181
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: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -166.187681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.417822 (E_RNA)
where:
Base-Base interactions energy: -116.230
where: short stacking energy: -50.874
Base-Backbone interact. energy: -0.002
local terms energy: -50.185804
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -10.213
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: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -161.532695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.532695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.894229 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.005
local terms energy: -45.612977
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -11.188
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -192.583022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.583022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.619170 (E_RNA)
where:
Base-Base interactions energy: -127.035
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.025
local terms energy: -65.558796
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -17.421
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -191.968067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.022844 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -63.622
Base-Backbone interact. energy: -0.008
local terms energy: -60.753018
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -14.705
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: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -192.975338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.979789 (E_RNA)
where:
Base-Base interactions energy: -132.959
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.337
local terms energy: -59.683736
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -11.854
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: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -184.010592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.010592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.024336 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.012
local terms energy: -58.839234
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -10.573
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -14.326
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: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -175.278045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.278045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.307909 (E_RNA)
where:
Base-Base interactions energy: -120.249
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.147
local terms energy: -54.911655
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -10.095
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: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -176.672375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.672375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.736159 (E_RNA)
where:
Base-Base interactions energy: -120.656
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.000
local terms energy: -56.079621
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -9.137
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: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -180.696894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763045 (E_RNA)
where:
Base-Base interactions energy: -123.444
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.089
local terms energy: -57.229718
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -17.069
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: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -174.777745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.997322 (E_RNA)
where:
Base-Base interactions energy: -124.515
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.042
local terms energy: -50.439846
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -11.876
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -167.104885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.104885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.170309 (E_RNA)
where:
Base-Base interactions energy: -112.655
where: short stacking energy: -48.655
Base-Backbone interact. energy: -0.036
local terms energy: -54.479638
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -11.325
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: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -169.134260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.134260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273575 (E_RNA)
where:
Base-Base interactions energy: -110.992
where: short stacking energy: -52.305
Base-Backbone interact. energy: -0.005
local terms energy: -58.276295
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.567
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: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -191.558463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.558463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.558463 (E_RNA)
where:
Base-Base interactions energy: -131.104
where: short stacking energy: -62.352
Base-Backbone interact. energy: -1.177
local terms energy: -59.277689
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.840
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: 124
Temperature: 0.950000
Total energy: -190.769446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.769446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.848988 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -63.193
Base-Backbone interact. energy: 0.457
local terms energy: -56.313773
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -14.111
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: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -183.436278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.436278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.461517 (E_RNA)
where:
Base-Base interactions energy: -127.573
where: short stacking energy: -59.543
Base-Backbone interact. energy: -0.079
local terms energy: -55.809405
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -13.958
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: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -192.721520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.721520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.721520 (E_RNA)
where:
Base-Base interactions energy: -130.856
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.240
local terms energy: -61.625232
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -16.787
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: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -184.325613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.325613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344012 (E_RNA)
where:
Base-Base interactions energy: -121.339
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.596
local terms energy: -62.409327
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -13.896
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -181.996834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.996834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.062364 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -58.950
Base-Backbone interact. energy: -0.052
local terms energy: -55.883017
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -14.133
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: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -179.703560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.703560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.713104 (E_RNA)
where:
Base-Base interactions energy: -122.986
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.001
local terms energy: -56.726543
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -15.704
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: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -167.040994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.040994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.217223 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -48.948
Base-Backbone interact. energy: -0.022
local terms energy: -51.996356
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -10.033
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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -170.935220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.935220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.970369 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -52.538
Base-Backbone interact. energy: -0.267
local terms energy: -41.564264
where:
bonds (distance) C4'-P energy: -3.255
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -12.647
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: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -170.138344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.138344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.149264 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.002
local terms energy: -54.133052
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -14.050
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -191.306353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.306353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.345915 (E_RNA)
where:
Base-Base interactions energy: -131.721
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.001
local terms energy: -59.623843
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -16.693
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -185.545626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.545626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546232 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.003
local terms energy: -56.090899
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -14.461
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: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -188.904685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.904685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.000191 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.195
local terms energy: -63.885824
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -14.921
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -187.572392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.572392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.589913 (E_RNA)
where:
Base-Base interactions energy: -130.895
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.001
local terms energy: -56.693305
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.274
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: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -183.074596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.074596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.130778 (E_RNA)
where:
Base-Base interactions energy: -124.619
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.001
local terms energy: -58.511043
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.602
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -185.918127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.918127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.939694 (E_RNA)
where:
Base-Base interactions energy: -122.558
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.000
local terms energy: -63.381326
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -16.392
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -180.689643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.689643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.689643 (E_RNA)
where:
Base-Base interactions energy: -121.095
where: short stacking energy: -50.425
Base-Backbone interact. energy: 0.189
local terms energy: -59.783196
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -163.994430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.994430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.029262 (E_RNA)
where:
Base-Base interactions energy: -113.373
where: short stacking energy: -41.579
Base-Backbone interact. energy: -0.114
local terms energy: -50.541962
where:
bonds (distance) C4'-P energy: -6.086
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -9.446
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: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -166.060327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.060327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.262272 (E_RNA)
where:
Base-Base interactions energy: -108.936
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.000
local terms energy: -57.326043
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -12.042
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: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -167.886242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.886242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995813 (E_RNA)
where:
Base-Base interactions energy: -116.489
where: short stacking energy: -49.214
Base-Backbone interact. energy: -0.009
local terms energy: -51.497145
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -11.586
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: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -194.388354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.453400 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.019
local terms energy: -61.881127
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -15.214
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: 2, replica: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -189.295968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.295968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.334878 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.002
local terms energy: -58.183482
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -17.408
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: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -185.490515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.490515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.490515 (E_RNA)
where:
Base-Base interactions energy: -124.223
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.029
local terms energy: -61.237615
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -13.533
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: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -185.148484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.148484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.171741 (E_RNA)
where:
Base-Base interactions energy: -122.350
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.425
local terms energy: -62.397428
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -15.856
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -186.714856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.714856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.752895 (E_RNA)
where:
Base-Base interactions energy: -130.922
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.002
local terms energy: -55.828826
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -16.672
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: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -176.853028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.853028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.853028 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.041
local terms energy: -50.580422
where:
bonds (distance) C4'-P energy: -7.041
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -10.477
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: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -175.716683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.716683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.734735 (E_RNA)
where:
Base-Base interactions energy: -121.914
where: short stacking energy: -51.882
Base-Backbone interact. energy: -0.235
local terms energy: -53.585656
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -12.886
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: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -170.317304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.317304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.576798 (E_RNA)
where:
Base-Base interactions energy: -116.857
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.001
local terms energy: -53.719542
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -13.403
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: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -176.065983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.212255 (E_RNA)
where:
Base-Base interactions energy: -117.989
where: short stacking energy: -51.732
Base-Backbone interact. energy: 0.372
local terms energy: -58.595778
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -14.874
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -162.190055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.190055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.213347 (E_RNA)
where:
Base-Base interactions energy: -116.544
where: short stacking energy: -49.036
Base-Backbone interact. energy: -0.104
local terms energy: -45.565489
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -9.318
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: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -194.473638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.473638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.478974 (E_RNA)
where:
Base-Base interactions energy: -135.792
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.000
local terms energy: -58.686853
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.212
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: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -190.423757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.423757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.423757 (E_RNA)
where:
Base-Base interactions energy: -133.362
where: short stacking energy: -59.997
Base-Backbone interact. energy: -0.682
local terms energy: -56.379740
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -188.225706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.225706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.467868 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.014
local terms energy: -56.548364
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -13.879
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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -184.404907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.404907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.411094 (E_RNA)
where:
Base-Base interactions energy: -128.254
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.002
local terms energy: -56.155355
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -9.096
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -14.195
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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -176.191627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.191627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.300313 (E_RNA)
where:
Base-Base interactions energy: -121.659
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.079
local terms energy: -54.562315
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -14.138
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: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -162.550163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.550163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.570549 (E_RNA)
where:
Base-Base interactions energy: -110.580
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.166
local terms energy: -51.824344
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.020 (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: 127
Temperature: 1.200000
Total energy: -179.420556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.420556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.872382 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.001
local terms energy: -60.609695
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -17.041
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: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -168.244399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.244399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.372233 (E_RNA)
where:
Base-Base interactions energy: -116.298
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.559
local terms energy: -51.515578
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -12.026
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -174.163270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.163270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.169028 (E_RNA)
where:
Base-Base interactions energy: -125.721
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.123
local terms energy: -48.325485
where:
bonds (distance) C4'-P energy: -5.040
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -11.721
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: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -165.200916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.200916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.423389 (E_RNA)
where:
Base-Base interactions energy: -113.168
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.023
local terms energy: -52.232306
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -2.881
tors. eta vs tors. theta energy: -14.820
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: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -191.160794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.160794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.207013 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.012
local terms energy: -61.239064
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.685
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: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -187.397421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.397421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.439559 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.159
local terms energy: -58.053053
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -15.021
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: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -189.434676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.434676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.555090 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.319
local terms energy: -58.448606
where:
bonds (distance) C4'-P energy: -6.623
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -15.864
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: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -187.121213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.312569 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.000
local terms energy: -60.827739
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -15.823
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: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -176.259317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.259317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269814 (E_RNA)
where:
Base-Base interactions energy: -124.343
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.098
local terms energy: -51.828173
where:
bonds (distance) C4'-P energy: -6.445
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -13.597
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: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -174.591050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.591050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.625982 (E_RNA)
where:
Base-Base interactions energy: -120.212
where: short stacking energy: -45.513
Base-Backbone interact. energy: -0.941
local terms energy: -53.473265
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -12.263
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: 128
Temperature: 1.200000
Total energy: -180.882451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.882451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.013319 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -44.856
Base-Backbone interact. energy: -0.731
local terms energy: -53.376391
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -9.564
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: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -162.130892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.130892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.233132 (E_RNA)
where:
Base-Base interactions energy: -120.828
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.033
local terms energy: -41.372610
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -8.762
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -12.800
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: 128
Temperature: 1.300000
Total energy: -154.159873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.159873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.214739 (E_RNA)
where:
Base-Base interactions energy: -108.856
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.699
local terms energy: -44.659526
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -11.119
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: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -160.125357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.125357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.623555 (E_RNA)
where:
Base-Base interactions energy: -106.000
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.288
local terms energy: -54.334892
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -8.257
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -14.309
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: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -196.859852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.859852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870876 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.004
local terms energy: -64.673766
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.365
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: 129
Temperature: 0.950000
Total energy: -189.792597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.792597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.792597 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.007
local terms energy: -57.956025
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -16.035
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: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -184.903265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.903265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.955203 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.150
local terms energy: -46.205098
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -9.256
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: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -185.308297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.308297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.439958 (E_RNA)
where:
Base-Base interactions energy: -128.873
where: short stacking energy: -50.477
Base-Backbone interact. energy: -0.113
local terms energy: -56.452968
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -9.086
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: 129
Temperature: 1.100000
Total energy: -180.803425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.803425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812124 (E_RNA)
where:
Base-Base interactions energy: -128.488
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.000
local terms energy: -52.324069
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -13.581
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: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -179.094342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.114870 (E_RNA)
where:
Base-Base interactions energy: -119.193
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.033
local terms energy: -59.888804
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -16.364
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: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -170.968457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.968457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.057037 (E_RNA)
where:
Base-Base interactions energy: -117.846
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.001
local terms energy: -53.210715
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -14.297
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: 129
Temperature: 1.250000
Total energy: -175.817659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.835403 (E_RNA)
where:
Base-Base interactions energy: -116.669
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.001
local terms energy: -59.165793
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -11.778
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: 129
Temperature: 1.300000
Total energy: -165.393918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.393918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.656467 (E_RNA)
where:
Base-Base interactions energy: -113.905
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.005
local terms energy: -51.746515
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -11.832
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: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -172.603865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.603865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.677463 (E_RNA)
where:
Base-Base interactions energy: -119.921
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.034
local terms energy: -52.722197
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -16.179
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: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -196.155473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.155473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.155473 (E_RNA)
where:
Base-Base interactions energy: -134.560
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.014
local terms energy: -61.581475
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -18.523
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: 130
Temperature: 0.950000
Total energy: -192.889636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.889636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.947869 (E_RNA)
where:
Base-Base interactions energy: -134.007
where: short stacking energy: -64.044
Base-Backbone interact. energy: -0.018
local terms energy: -58.922909
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -16.019
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -191.257348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.257348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263346 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.181
local terms energy: -55.614031
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -12.908
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -186.192702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.230877 (E_RNA)
where:
Base-Base interactions energy: -136.606
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.823
local terms energy: -48.802534
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -10.653
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: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -183.563402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.822400 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.001
local terms energy: -51.026794
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -10.730
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: 130
Temperature: 1.150000
Total energy: -181.104820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.266669 (E_RNA)
where:
Base-Base interactions energy: -124.776
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.051
local terms energy: -56.439401
where:
bonds (distance) C4'-P energy: -8.265
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -16.953
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: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -169.992635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.992635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.033572 (E_RNA)
where:
Base-Base interactions energy: -115.305
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.100
local terms energy: -54.629108
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -10.802
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: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -169.308297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.395747 (E_RNA)
where:
Base-Base interactions energy: -118.976
where: short stacking energy: -54.959
Base-Backbone interact. energy: 0.067
local terms energy: -50.486342
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -8.822
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -15.862
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: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -160.867995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.867995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.969046 (E_RNA)
where:
Base-Base interactions energy: -121.203
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.001
local terms energy: -39.765234
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -5.136
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -8.877
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: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -170.197258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.197258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.317729 (E_RNA)
where:
Base-Base interactions energy: -120.888
where: short stacking energy: -54.546
Base-Backbone interact. energy: -0.001
local terms energy: -49.429274
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -14.645
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: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -190.401031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.401031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.401031 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.000
local terms energy: -58.810267
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -13.636
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: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -190.182052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.220661 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -54.789
Base-Backbone interact. energy: -0.845
local terms energy: -52.336601
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -12.412
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: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -185.363909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.363909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.437049 (E_RNA)
where:
Base-Base interactions energy: -131.793
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.004
local terms energy: -53.639516
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -17.333
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: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -186.489900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.489900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.490246 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.013
local terms energy: -57.576260
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -187.249778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.249778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.318875 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -51.637
Base-Backbone interact. energy: -0.034
local terms energy: -61.446898
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.331
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: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -177.806051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.806051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.806051 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.189
local terms energy: -51.483638
where:
bonds (distance) C4'-P energy: -5.675
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -178.223281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.223281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.296065 (E_RNA)
where:
Base-Base interactions energy: -127.584
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.008
local terms energy: -50.704677
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -7.983
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -12.765
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -168.733264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.733264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.749360 (E_RNA)
where:
Base-Base interactions energy: -114.529
where: short stacking energy: -46.974
Base-Backbone interact. energy: -0.042
local terms energy: -54.178344
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -14.464
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: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -167.838854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.838854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.039185 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -47.360
Base-Backbone interact. energy: -0.105
local terms energy: -52.901252
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -11.754
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -161.534948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.534948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.908011 (E_RNA)
where:
Base-Base interactions energy: -109.402
where: short stacking energy: -44.648
Base-Backbone interact. energy: -0.144
local terms energy: -52.361902
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -10.015
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: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -194.945894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.945894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.026087 (E_RNA)
where:
Base-Base interactions energy: -131.551
where: short stacking energy: -59.286
Base-Backbone interact. energy: -0.017
local terms energy: -63.457856
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -17.203
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -190.087606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.087606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.105759 (E_RNA)
where:
Base-Base interactions energy: -132.788
where: short stacking energy: -52.319
Base-Backbone interact. energy: -0.013
local terms energy: -57.304350
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -7.881
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -13.845
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -192.065677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.065677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.112558 (E_RNA)
where:
Base-Base interactions energy: -131.100
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.000
local terms energy: -61.012252
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.014
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: 132
Temperature: 1.050000
Total energy: -180.501750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.501750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.530528 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.018
local terms energy: -55.663470
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -12.962
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -174.645438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.645438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.702805 (E_RNA)
where:
Base-Base interactions energy: -118.066
where: short stacking energy: -45.839
Base-Backbone interact. energy: -0.689
local terms energy: -55.948393
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -14.269
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: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -166.447562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.447562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.566718 (E_RNA)
where:
Base-Base interactions energy: -113.684
where: short stacking energy: -45.523
Base-Backbone interact. energy: -0.316
local terms energy: -52.566995
where:
bonds (distance) C4'-P energy: -4.483
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.278
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: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -180.446880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.446880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.544045 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.000
local terms energy: -53.574945
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -15.111
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: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -177.925780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.925780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955687 (E_RNA)
where:
Base-Base interactions energy: -125.378
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.102
local terms energy: -52.476326
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -7.249
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -12.686
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: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -175.820442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.820442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.820442 (E_RNA)
where:
Base-Base interactions energy: -124.040
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.001
local terms energy: -51.779199
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -165.166405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.166405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.289210 (E_RNA)
where:
Base-Base interactions energy: -113.703
where: short stacking energy: -42.346
Base-Backbone interact. energy: 0.989
local terms energy: -52.575145
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -10.703
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -196.624311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.624311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.705251 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.022
local terms energy: -63.887287
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -17.844
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: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -190.454121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.454121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.650829 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.001
local terms energy: -61.931306
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -16.792
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: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -189.367134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.367134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411983 (E_RNA)
where:
Base-Base interactions energy: -131.758
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.118
local terms energy: -57.535402
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -13.114
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: 133
Temperature: 1.050000
Total energy: -181.626573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704195 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -60.187
Base-Backbone interact. energy: -0.082
local terms energy: -52.602026
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -11.394
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -183.079227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.165431 (E_RNA)
where:
Base-Base interactions energy: -129.485
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.430
local terms energy: -53.250298
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -11.306
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: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -181.748400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748400 (E_RNA)
where:
Base-Base interactions energy: -127.806
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.000
local terms energy: -53.941951
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -15.625
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: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -169.327748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.327748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344397 (E_RNA)
where:
Base-Base interactions energy: -117.242
where: short stacking energy: -48.894
Base-Backbone interact. energy: -0.080
local terms energy: -52.022992
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -13.128
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -170.231129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.231129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.246096 (E_RNA)
where:
Base-Base interactions energy: -117.900
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.042
local terms energy: -52.303784
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -11.993
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: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -160.377318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.377318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377318 (E_RNA)
where:
Base-Base interactions energy: -118.774
where: short stacking energy: -48.780
Base-Backbone interact. energy: -0.129
local terms energy: -41.473621
where:
bonds (distance) C4'-P energy: -4.981
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -161.069868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.069868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.106485 (E_RNA)
where:
Base-Base interactions energy: -110.009
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.544
local terms energy: -50.553847
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -11.019
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: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -194.811466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.811466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.811466 (E_RNA)
where:
Base-Base interactions energy: -134.518
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.003
local terms energy: -60.290432
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -16.869
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: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -188.824204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.824204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.855721 (E_RNA)
where:
Base-Base interactions energy: -125.530
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.007
local terms energy: -63.319163
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -17.160
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: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -191.688191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.738274 (E_RNA)
where:
Base-Base interactions energy: -134.345
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.157
local terms energy: -57.236494
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -16.383
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: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -185.939921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.074713 (E_RNA)
where:
Base-Base interactions energy: -126.214
where: short stacking energy: -53.405
Base-Backbone interact. energy: -0.020
local terms energy: -59.840405
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -12.329
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: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -181.842513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.040366 (E_RNA)
where:
Base-Base interactions energy: -124.843
where: short stacking energy: -53.323
Base-Backbone interact. energy: -0.440
local terms energy: -56.757624
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -12.167
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -183.558926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.558926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.573090 (E_RNA)
where:
Base-Base interactions energy: -125.083
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.248
local terms energy: -58.242444
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -11.186
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: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -167.505853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.505853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.590886 (E_RNA)
where:
Base-Base interactions energy: -114.977
where: short stacking energy: -48.370
Base-Backbone interact. energy: -0.345
local terms energy: -52.269036
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -14.997
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: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -171.648784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.648784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.747205 (E_RNA)
where:
Base-Base interactions energy: -117.458
where: short stacking energy: -51.518
Base-Backbone interact. energy: -0.295
local terms energy: -53.993988
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -14.405
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: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -165.180872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.180872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.646128 (E_RNA)
where:
Base-Base interactions energy: -119.662
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.038
local terms energy: -45.946031
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -15.327
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: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -168.302252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.302252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.658492 (E_RNA)
where:
Base-Base interactions energy: -120.972
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.377
local terms energy: -47.309267
where:
bonds (distance) C4'-P energy: -7.198
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -11.480
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: 135
Temperature: 0.900000
Total energy: -190.349890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.349890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.382519 (E_RNA)
where:
Base-Base interactions energy: -128.314
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.055
local terms energy: -62.013848
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -15.742
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: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -195.544932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.557079 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -60.649
Base-Backbone interact. energy: -0.041
local terms energy: -64.425293
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -14.840
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: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -192.440354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.440354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.513053 (E_RNA)
where:
Base-Base interactions energy: -127.931
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.008
local terms energy: -64.574286
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -17.289
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: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -182.994689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.994689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.035429 (E_RNA)
where:
Base-Base interactions energy: -124.793
where: short stacking energy: -46.942
Base-Backbone interact. energy: -0.087
local terms energy: -58.155770
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -12.374
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: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -184.182732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192987 (E_RNA)
where:
Base-Base interactions energy: -126.367
where: short stacking energy: -53.207
Base-Backbone interact. energy: -0.122
local terms energy: -57.703355
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -8.354
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -14.210
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: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -179.466799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.466799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.583064 (E_RNA)
where:
Base-Base interactions energy: -125.283
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.026
local terms energy: -54.274345
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -14.302
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: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -176.796964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.796964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.870748 (E_RNA)
where:
Base-Base interactions energy: -122.862
where: short stacking energy: -49.781
Base-Backbone interact. energy: -0.304
local terms energy: -53.705099
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -11.624
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: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -176.264874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.264874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.326453 (E_RNA)
where:
Base-Base interactions energy: -122.716
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.005
local terms energy: -53.605278
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -13.983
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: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -163.353117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.353117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.647654 (E_RNA)
where:
Base-Base interactions energy: -115.325
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.389
local terms energy: -47.933859
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -10.732
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: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -163.262276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.347374 (E_RNA)
where:
Base-Base interactions energy: -116.537
where: short stacking energy: -47.794
Base-Backbone interact. energy: -0.160
local terms energy: -46.650526
where:
bonds (distance) C4'-P energy: -6.544
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -12.729
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: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -193.805911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.805911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.827192 (E_RNA)
where:
Base-Base interactions energy: -131.274
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.001
local terms energy: -62.552744
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -15.217
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: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -189.031527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.031527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058172 (E_RNA)
where:
Base-Base interactions energy: -130.814
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.125
local terms energy: -58.119217
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -12.525
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: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -189.377758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.377758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.482510 (E_RNA)
where:
Base-Base interactions energy: -127.142
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.045
local terms energy: -62.295358
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -16.230
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: 136
Temperature: 1.050000
Total energy: -189.007562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.085126 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -51.703
Base-Backbone interact. energy: -1.192
local terms energy: -60.867501
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.467
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: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -187.292324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.292324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.300684 (E_RNA)
where:
Base-Base interactions energy: -127.438
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.007
local terms energy: -59.855101
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -16.982
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: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -168.026527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.026527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.035078 (E_RNA)
where:
Base-Base interactions energy: -116.567
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.008
local terms energy: -51.460126
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -9.037
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: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -178.791579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.791579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840507 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.051
local terms energy: -57.790811
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -14.043
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: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -175.143922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143922 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.312
local terms energy: -50.214396
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -168.211879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.211879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.211879 (E_RNA)
where:
Base-Base interactions energy: -111.490
where: short stacking energy: -41.083
Base-Backbone interact. energy: -0.002
local terms energy: -56.719678
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -156.846515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.846515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.947566 (E_RNA)
where:
Base-Base interactions energy: -106.613
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.095
local terms energy: -50.240052
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -8.546
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: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -196.297653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.297653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331773 (E_RNA)
where:
Base-Base interactions energy: -132.612
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.000
local terms energy: -63.719990
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -15.729
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: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -188.577868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.577868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577868 (E_RNA)
where:
Base-Base interactions energy: -134.589
where: short stacking energy: -64.396
Base-Backbone interact. energy: -0.002
local terms energy: -53.986705
where:
bonds (distance) C4'-P energy: -6.110
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -15.273
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: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -192.031826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.031826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.048581 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.000
local terms energy: -57.846643
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -17.534
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: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -186.163023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.163023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.185534 (E_RNA)
where:
Base-Base interactions energy: -125.635
where: short stacking energy: -58.214
Base-Backbone interact. energy: 0.869
local terms energy: -61.418916
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -15.070
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: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -179.834068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.834068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895198 (E_RNA)
where:
Base-Base interactions energy: -124.379
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.003
local terms energy: -55.513681
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -13.986
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -173.616383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.616383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.616383 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -55.912
Base-Backbone interact. energy: -0.028
local terms energy: -51.644707
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -174.881809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.969048 (E_RNA)
where:
Base-Base interactions energy: -123.636
where: short stacking energy: -54.974
Base-Backbone interact. energy: 0.178
local terms energy: -51.510937
where:
bonds (distance) C4'-P energy: -5.704
bonds (distance) P-C4' energy: -9.382
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -15.614
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: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -168.883744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.883744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.951128 (E_RNA)
where:
Base-Base interactions energy: -118.842
where: short stacking energy: -47.900
Base-Backbone interact. energy: 1.184
local terms energy: -51.293077
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -12.679
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: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -165.597081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.597081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.672040 (E_RNA)
where:
Base-Base interactions energy: -113.922
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.282
local terms energy: -51.468003
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -9.834
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -164.148669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.148669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.452555 (E_RNA)
where:
Base-Base interactions energy: -108.710
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.155
local terms energy: -55.586945
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -7.279
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: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -194.352310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.400740 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.008
local terms energy: -64.326524
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.645
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -187.149503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.149503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.149503 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.712
local terms energy: -53.385223
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -13.902
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: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -190.785776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.785776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.794328 (E_RNA)
where:
Base-Base interactions energy: -129.455
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.048
local terms energy: -61.291821
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -16.932
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -184.014423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.252881 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -59.005
Base-Backbone interact. energy: 0.181
local terms energy: -56.944853
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -14.085
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: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -177.620705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.620705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.673905 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -49.726
Base-Backbone interact. energy: -0.163
local terms energy: -58.093271
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -13.301
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: 138
Temperature: 1.150000
Total energy: -186.968595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.968595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.029674 (E_RNA)
where:
Base-Base interactions energy: -130.146
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.006
local terms energy: -56.877618
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -17.301
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: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -183.758342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.758342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.764500 (E_RNA)
where:
Base-Base interactions energy: -126.694
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.000
local terms energy: -57.069659
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -12.748
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: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -169.096402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.096402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.149326 (E_RNA)
where:
Base-Base interactions energy: -119.981
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.066
local terms energy: -49.102909
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -10.430
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: 138
Temperature: 1.300000
Total energy: -166.788534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.788534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.788534 (E_RNA)
where:
Base-Base interactions energy: -112.410
where: short stacking energy: -45.772
Base-Backbone interact. energy: -0.092
local terms energy: -54.285809
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -161.878985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.878985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.992376 (E_RNA)
where:
Base-Base interactions energy: -110.966
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.037
local terms energy: -50.989249
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -7.806
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: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -196.752258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.752258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.752258 (E_RNA)
where:
Base-Base interactions energy: -134.578
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.025
local terms energy: -62.149324
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -17.206
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: 139
Temperature: 0.950000
Total energy: -193.214024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.251931 (E_RNA)
where:
Base-Base interactions energy: -133.623
where: short stacking energy: -61.567
Base-Backbone interact. energy: -0.002
local terms energy: -59.627310
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -17.464
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: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -184.870210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.923457 (E_RNA)
where:
Base-Base interactions energy: -131.828
where: short stacking energy: -46.756
Base-Backbone interact. energy: -0.082
local terms energy: -53.013249
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -11.803
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: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -187.682921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.682921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.740498 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -59.216
Base-Backbone interact. energy: -0.003
local terms energy: -61.515028
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -14.014
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -175.852805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.863753 (E_RNA)
where:
Base-Base interactions energy: -118.233
where: short stacking energy: -53.608
Base-Backbone interact. energy: -0.008
local terms energy: -57.622659
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -10.786
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -178.228364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.228364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.249075 (E_RNA)
where:
Base-Base interactions energy: -124.106
where: short stacking energy: -55.327
Base-Backbone interact. energy: 0.115
local terms energy: -54.257325
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -15.126
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: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -168.129904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.129904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.300373 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -52.358
Base-Backbone interact. energy: -0.006
local terms energy: -45.516845
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -7.372
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -11.038
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -178.919402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.919402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.965501 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.001
local terms energy: -54.760005
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -7.869
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -14.145
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: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -168.283590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.283590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.423957 (E_RNA)
where:
Base-Base interactions energy: -120.048
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.001
local terms energy: -48.375857
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -7.673
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -12.185
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: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -170.860077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.860077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.911351 (E_RNA)
where:
Base-Base interactions energy: -121.735
where: short stacking energy: -49.730
Base-Backbone interact. energy: 0.103
local terms energy: -49.278404
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -11.619
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: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -194.342451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.342451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.366745 (E_RNA)
where:
Base-Base interactions energy: -136.561
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.001
local terms energy: -57.805073
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -15.123
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: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -193.844369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.844369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.856688 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -60.194
Base-Backbone interact. energy: 0.639
local terms energy: -60.450740
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -17.248
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: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -192.774815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.774815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.942795 (E_RNA)
where:
Base-Base interactions energy: -127.779
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.617
local terms energy: -64.546559
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.486
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: 140
Temperature: 1.050000
Total energy: -184.687714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704203 (E_RNA)
where:
Base-Base interactions energy: -128.688
where: short stacking energy: -52.385
Base-Backbone interact. energy: 0.290
local terms energy: -56.306093
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -10.592
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: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -179.570292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.570292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598822 (E_RNA)
where:
Base-Base interactions energy: -123.400
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.063
local terms energy: -56.136182
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -14.088
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -173.204217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.204217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.204217 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -52.210
Base-Backbone interact. energy: -0.026
local terms energy: -52.798181
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -12.992
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: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -166.976128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.976128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.976128 (E_RNA)
where:
Base-Base interactions energy: -122.922
where: short stacking energy: -50.660
Base-Backbone interact. energy: -0.223
local terms energy: -43.831592
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -5.116
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -181.264709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.264709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.303462 (E_RNA)
where:
Base-Base interactions energy: -126.523
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.000
local terms energy: -54.780396
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -7.277
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.134
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: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -166.096981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.096981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.108660 (E_RNA)
where:
Base-Base interactions energy: -123.287
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.027
local terms energy: -42.794545
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -4.626
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -12.889
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -164.577459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.577459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.695003 (E_RNA)
where:
Base-Base interactions energy: -115.529
where: short stacking energy: -53.172
Base-Backbone interact. energy: -0.173
local terms energy: -48.993112
where:
bonds (distance) C4'-P energy: -5.696
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -12.055
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: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -191.893359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.893359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893359 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -57.875
Base-Backbone interact. energy: -0.025
local terms energy: -63.707913
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -15.229
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -192.516947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.528677 (E_RNA)
where:
Base-Base interactions energy: -128.016
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.008
local terms energy: -64.503937
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.701
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: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -183.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.448673 (E_RNA)
where:
Base-Base interactions energy: -126.499
where: short stacking energy: -52.395
Base-Backbone interact. energy: -0.100
local terms energy: -56.849878
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -14.509
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -185.428811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.428811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.453279 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.144
local terms energy: -56.817796
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -15.107
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: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -186.338921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.338921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.392138 (E_RNA)
where:
Base-Base interactions energy: -129.573
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.769
local terms energy: -56.050089
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -14.439
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: 141
Temperature: 1.150000
Total energy: -177.800297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.800297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197716 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.327
local terms energy: -57.986624
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -12.662
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: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -178.191150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.191150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.191150 (E_RNA)
where:
Base-Base interactions energy: -118.890
where: short stacking energy: -50.525
Base-Backbone interact. energy: -0.000
local terms energy: -59.301097
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -181.344363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.344363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.482211 (E_RNA)
where:
Base-Base interactions energy: -120.799
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.002
local terms energy: -60.681156
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -17.302
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: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -164.834697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.834697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.848589 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -46.760
Base-Backbone interact. energy: -0.002
local terms energy: -53.169216
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -10.305
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: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -155.008457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.008457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.054671 (E_RNA)
where:
Base-Base interactions energy: -112.410
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.020
local terms energy: -42.623928
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -5.204
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -11.995
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: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -194.825238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.825238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.843394 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.005
local terms energy: -58.754722
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -15.650
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: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -191.084307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.084307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130961 (E_RNA)
where:
Base-Base interactions energy: -128.870
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.014
local terms energy: -62.247187
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -16.718
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: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -185.100571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.100571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.295668 (E_RNA)
where:
Base-Base interactions energy: -123.582
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.001
local terms energy: -61.712454
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -15.910
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: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -177.927205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.927205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.032016 (E_RNA)
where:
Base-Base interactions energy: -121.912
where: short stacking energy: -53.261
Base-Backbone interact. energy: -0.107
local terms energy: -56.012933
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -14.755
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: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -177.309745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.309745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.309745 (E_RNA)
where:
Base-Base interactions energy: -118.823
where: short stacking energy: -46.412
Base-Backbone interact. energy: -0.081
local terms energy: -58.406194
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -10.696
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -182.301922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.301922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.337697 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -53.619
Base-Backbone interact. energy: -0.212
local terms energy: -52.569512
where:
bonds (distance) C4'-P energy: -5.825
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -13.308
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -177.353594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.353594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.444542 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.000
local terms energy: -56.824979
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.479
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: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -164.805773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.805773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.875602 (E_RNA)
where:
Base-Base interactions energy: -113.069
where: short stacking energy: -45.108
Base-Backbone interact. energy: -0.575
local terms energy: -51.231697
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -10.819
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: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -167.051439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.051439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.128585 (E_RNA)
where:
Base-Base interactions energy: -116.554
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.002
local terms energy: -50.572947
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -13.184
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: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -165.137587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.137587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.250464 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.018
local terms energy: -48.708346
where:
bonds (distance) C4'-P energy: -4.831
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -10.961
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: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -198.305565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.305565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.368756 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -62.670
Base-Backbone interact. energy: -0.009
local terms energy: -64.131765
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -16.020
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: 143
Temperature: 0.950000
Total energy: -187.625775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.625775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676676 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.007
local terms energy: -61.859969
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -17.212
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: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -191.536769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.536769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.548686 (E_RNA)
where:
Base-Base interactions energy: -129.285
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.011
local terms energy: -62.252862
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -18.171
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -179.841061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.841061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.855985 (E_RNA)
where:
Base-Base interactions energy: -131.247
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.026
local terms energy: -48.583092
where:
bonds (distance) C4'-P energy: -7.659
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -14.216
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: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -187.094532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.094532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.226651 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -60.340
Base-Backbone interact. energy: -0.008
local terms energy: -59.708853
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -14.005
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: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -177.877337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.877337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.877337 (E_RNA)
where:
Base-Base interactions energy: -125.774
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.001
local terms energy: -52.102492
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -14.343
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -173.823142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.823142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.823142 (E_RNA)
where:
Base-Base interactions energy: -124.668
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.719
local terms energy: -48.436340
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -165.211312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.211312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.215297 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.006
local terms energy: -52.214835
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -12.792
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: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -178.387787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.387787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387787 (E_RNA)
where:
Base-Base interactions energy: -126.313
where: short stacking energy: -49.791
Base-Backbone interact. energy: -1.145
local terms energy: -50.929792
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -7.817
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -161.590478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.590478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.908392 (E_RNA)
where:
Base-Base interactions energy: -111.033
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.020
local terms energy: -50.855310
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -12.238
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: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -197.077796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.077796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.134946 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.297
local terms energy: -62.690395
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -16.902
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -191.643035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.643035 (E_RNA)
where:
Base-Base interactions energy: -132.831
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.003
local terms energy: -58.808635
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -14.849
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: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -188.698139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.698139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.742653 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.001
local terms energy: -59.624513
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.572
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: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -191.330611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.330611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.330611 (E_RNA)
where:
Base-Base interactions energy: -131.328
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.583
local terms energy: -59.420116
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -13.663
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -174.065310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.127786 (E_RNA)
where:
Base-Base interactions energy: -116.997
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.402
local terms energy: -56.728555
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -9.752
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: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -176.925803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.072741 (E_RNA)
where:
Base-Base interactions energy: -123.207
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.715
local terms energy: -53.150923
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -9.676
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -187.124065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.124065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.133810 (E_RNA)
where:
Base-Base interactions energy: -125.097
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.101
local terms energy: -61.935715
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -15.088
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: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -168.953794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.011778 (E_RNA)
where:
Base-Base interactions energy: -118.772
where: short stacking energy: -49.672
Base-Backbone interact. energy: -0.021
local terms energy: -50.218153
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -11.586
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -160.616509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.616509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.663726 (E_RNA)
where:
Base-Base interactions energy: -117.742
where: short stacking energy: -52.353
Base-Backbone interact. energy: 1.979
local terms energy: -44.900481
where:
bonds (distance) C4'-P energy: -6.446
bonds (distance) P-C4' energy: -8.281
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -14.966
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: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -151.172089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.172089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.351696 (E_RNA)
where:
Base-Base interactions energy: -111.156
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.211
local terms energy: -39.984054
where:
bonds (distance) C4'-P energy: -3.114
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -7.625
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: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -194.080157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.080157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.142371 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.002
local terms energy: -64.405258
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -17.086
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: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -187.776773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.776773 (E_RNA)
where:
Base-Base interactions energy: -129.239
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.004
local terms energy: -58.533929
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -11.641
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -192.137273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.137273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.137273 (E_RNA)
where:
Base-Base interactions energy: -129.327
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.001
local terms energy: -62.809275
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -15.033
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: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -180.205508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.205508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.205508 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.000
local terms energy: -51.561997
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -13.099
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: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -180.054352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.054352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.303418 (E_RNA)
where:
Base-Base interactions energy: -121.936
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.319
local terms energy: -58.048572
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -15.141
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -181.932416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.932416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.934822 (E_RNA)
where:
Base-Base interactions energy: -125.006
where: short stacking energy: -58.919
Base-Backbone interact. energy: -0.122
local terms energy: -56.806885
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.002 (S_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: 145
Temperature: 1.200000
Total energy: -177.147084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.147084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.333982 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.000
local terms energy: -47.644375
where:
bonds (distance) C4'-P energy: -5.167
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -13.396
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -170.089302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.089302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.182398 (E_RNA)
where:
Base-Base interactions energy: -113.184
where: short stacking energy: -45.820
Base-Backbone interact. energy: -0.042
local terms energy: -56.956028
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -11.349
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: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -164.011520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.011520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.102500 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.040
local terms energy: -55.235155
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -9.244
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: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -155.275101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.275101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.368932 (E_RNA)
where:
Base-Base interactions energy: -104.088
where: short stacking energy: -39.691
Base-Backbone interact. energy: -0.309
local terms energy: -50.971824
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -11.485
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: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -196.238356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.238356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.289406 (E_RNA)
where:
Base-Base interactions energy: -136.222
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.001
local terms energy: -60.066589
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -15.849
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -189.623180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.623180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.631682 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.001
local terms energy: -58.576460
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -14.645
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -185.203683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.203683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.277030 (E_RNA)
where:
Base-Base interactions energy: -124.637
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.000
local terms energy: -60.639915
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -14.888
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -183.170859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.170859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301000 (E_RNA)
where:
Base-Base interactions energy: -129.618
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.016
local terms energy: -53.666612
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -13.771
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -186.299178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.299178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.299178 (E_RNA)
where:
Base-Base interactions energy: -127.951
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.561
local terms energy: -57.787836
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -176.113302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.113302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167253 (E_RNA)
where:
Base-Base interactions energy: -124.186
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.042
local terms energy: -51.938921
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -7.622
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -13.633
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: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -172.217235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.217235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.317890 (E_RNA)
where:
Base-Base interactions energy: -122.350
where: short stacking energy: -50.574
Base-Backbone interact. energy: -0.758
local terms energy: -49.209644
where:
bonds (distance) C4'-P energy: -6.189
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -12.339
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: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -164.051299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.051299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.196647 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -52.129
Base-Backbone interact. energy: -0.014
local terms energy: -46.441571
where:
bonds (distance) C4'-P energy: -5.553
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -13.456
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: 146
Temperature: 1.300000
Total energy: -156.582810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.737006 (E_RNA)
where:
Base-Base interactions energy: -124.818
where: short stacking energy: -49.355
Base-Backbone interact. energy: -0.088
local terms energy: -31.830377
where:
bonds (distance) C4'-P energy: -6.910
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -0.083
tors. eta vs tors. theta energy: -6.750
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: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -177.847556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.847556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.999285 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.041
local terms energy: -60.420702
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -13.810
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: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -194.548007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.548007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.697058 (E_RNA)
where:
Base-Base interactions energy: -133.430
where: short stacking energy: -61.014
Base-Backbone interact. energy: -0.000
local terms energy: -61.267417
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.306
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: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -191.146273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.146273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224114 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.003
local terms energy: -60.540848
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -15.993
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: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -194.087913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.087913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.159555 (E_RNA)
where:
Base-Base interactions energy: -129.314
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.015
local terms energy: -64.830775
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -16.608
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: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -182.110940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.110940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.110940 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -58.812
Base-Backbone interact. energy: -1.030
local terms energy: -53.640345
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -12.705
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: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -189.652945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706743 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.002
local terms energy: -62.737550
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -16.506
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: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -173.345481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.345481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.345481 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -49.074
Base-Backbone interact. energy: -0.343
local terms energy: -45.882196
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -162.481817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.481817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.641029 (E_RNA)
where:
Base-Base interactions energy: -107.805
where: short stacking energy: -44.067
Base-Backbone interact. energy: -0.143
local terms energy: -54.692786
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -12.930
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: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -169.969935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.969935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.991560 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -52.605
Base-Backbone interact. energy: -0.082
local terms energy: -48.796754
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -6.888
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -11.331
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: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -166.679250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.711540 (E_RNA)
where:
Base-Base interactions energy: -112.713
where: short stacking energy: -50.849
Base-Backbone interact. energy: -0.002
local terms energy: -53.996176
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -12.727
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: 147
Temperature: 1.350000
Total energy: -166.104147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.104147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.116243 (E_RNA)
where:
Base-Base interactions energy: -112.768
where: short stacking energy: -44.982
Base-Backbone interact. energy: -0.163
local terms energy: -53.185161
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -12.264
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: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -191.367870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.367870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.402673 (E_RNA)
where:
Base-Base interactions energy: -133.164
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.069
local terms energy: -58.169147
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -15.065
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: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -189.218475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.218475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218475 (E_RNA)
where:
Base-Base interactions energy: -130.234
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.036
local terms energy: -58.948952
where:
bonds (distance) C4'-P energy: -7.281
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -16.012
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: 148
Temperature: 1.000000
Total energy: -181.579189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.650603 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -52.297
Base-Backbone interact. energy: -0.060
local terms energy: -56.871621
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -13.605
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -186.254892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.254892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.303791 (E_RNA)
where:
Base-Base interactions energy: -129.378
where: short stacking energy: -58.776
Base-Backbone interact. energy: 0.140
local terms energy: -57.065956
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -11.306
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -185.378455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.380462 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.165
local terms energy: -60.276078
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -176.483094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.483094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.716894 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.005
local terms energy: -57.209647
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -14.930
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: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -180.458549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.458549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.458549 (E_RNA)
where:
Base-Base interactions energy: -122.585
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.000
local terms energy: -57.872872
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -168.295494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.295494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.412274 (E_RNA)
where:
Base-Base interactions energy: -112.812
where: short stacking energy: -46.690
Base-Backbone interact. energy: -0.183
local terms energy: -55.417995
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -10.683
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: 9, replica: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -173.295808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415001 (E_RNA)
where:
Base-Base interactions energy: -116.350
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.883
local terms energy: -56.182620
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -15.374
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: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -162.223654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.223654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.322561 (E_RNA)
where:
Base-Base interactions energy: -110.377
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.012
local terms energy: -51.933552
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -10.593
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: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -193.729441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.729441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.908324 (E_RNA)
where:
Base-Base interactions energy: -128.342
where: short stacking energy: -62.411
Base-Backbone interact. energy: -0.013
local terms energy: -65.553813
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -17.596
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: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -192.584020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.584020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.587389 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.297
local terms energy: -63.068592
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.545
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: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -190.079746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.079746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.079746 (E_RNA)
where:
Base-Base interactions energy: -130.811
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.001
local terms energy: -59.268295
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -14.412
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: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -185.662868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.662868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.663842 (E_RNA)
where:
Base-Base interactions energy: -123.508
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.011
local terms energy: -62.145561
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -18.345
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: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -185.114986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.114986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192841 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.031
local terms energy: -63.650487
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -14.215
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: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -179.878929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.878929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.883104 (E_RNA)
where:
Base-Base interactions energy: -123.855
where: short stacking energy: -53.217
Base-Backbone interact. energy: -0.004
local terms energy: -56.024617
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -14.091
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: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -170.137546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.137546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.215929 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -57.413
Base-Backbone interact. energy: -0.021
local terms energy: -44.817581
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -6.880
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -12.810
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: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -161.950396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.950396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.040646 (E_RNA)
where:
Base-Base interactions energy: -111.360
where: short stacking energy: -49.912
Base-Backbone interact. energy: -0.000
local terms energy: -50.680845
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -6.358
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -14.313
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: 149
Temperature: 1.300000
Total energy: -170.662972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.662972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.680894 (E_RNA)
where:
Base-Base interactions energy: -118.725
where: short stacking energy: -44.006
Base-Backbone interact. energy: -0.433
local terms energy: -51.523389
where:
bonds (distance) C4'-P energy: -6.045
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -14.588
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -159.905439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.905439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.083576 (E_RNA)
where:
Base-Base interactions energy: -109.399
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.475
local terms energy: -50.209711
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -10.748
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: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -190.466712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.466712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.474827 (E_RNA)
where:
Base-Base interactions energy: -130.648
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.476
local terms energy: -59.350725
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -13.573
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: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -196.833483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.833483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.848519 (E_RNA)
where:
Base-Base interactions energy: -138.655
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.041
local terms energy: -58.152659
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -14.025
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: 150
Temperature: 1.000000
Total energy: -190.234360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.234360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.340317 (E_RNA)
where:
Base-Base interactions energy: -130.540
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.027
local terms energy: -59.773217
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -13.747
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -189.506512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.506512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.525191 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -56.256
Base-Backbone interact. energy: -0.603
local terms energy: -53.365839
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -12.789
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: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -184.449221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.449221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.498662 (E_RNA)
where:
Base-Base interactions energy: -128.871
where: short stacking energy: -53.117
Base-Backbone interact. energy: 0.389
local terms energy: -56.015988
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.140
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: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -179.583127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.583127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.619330 (E_RNA)
where:
Base-Base interactions energy: -126.918
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.001
local terms energy: -52.700843
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -15.250
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: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -169.271518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.281211 (E_RNA)
where:
Base-Base interactions energy: -119.439
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.002
local terms energy: -49.841108
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -14.129
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -176.150413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.290940 (E_RNA)
where:
Base-Base interactions energy: -114.734
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.001
local terms energy: -61.555736
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.562
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -156.419512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.419512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.480415 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.518
local terms energy: -44.126525
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -10.335
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: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -164.990537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.087090 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.142
local terms energy: -48.892260
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -10.807
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: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -185.377717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.377717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.377717 (E_RNA)
where:
Base-Base interactions energy: -122.375
where: short stacking energy: -56.838
Base-Backbone interact. energy: -1.064
local terms energy: -61.938236
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -15.474
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: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -188.903372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.903372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.903899 (E_RNA)
where:
Base-Base interactions energy: -128.469
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.399
local terms energy: -60.036476
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -13.890
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: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -186.823866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.823866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.846357 (E_RNA)
where:
Base-Base interactions energy: -127.833
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.335
local terms energy: -58.678894
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -14.033
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: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -186.360247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.360247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.366833 (E_RNA)
where:
Base-Base interactions energy: -123.909
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.711
local terms energy: -61.746307
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -17.296
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: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -181.313950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.313950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.423777 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.336
local terms energy: -54.771628
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -13.024
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -173.688190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.690501 (E_RNA)
where:
Base-Base interactions energy: -122.607
where: short stacking energy: -58.584
Base-Backbone interact. energy: 0.118
local terms energy: -51.201477
where:
bonds (distance) C4'-P energy: -5.972
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -177.834688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.834688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.870121 (E_RNA)
where:
Base-Base interactions energy: -115.469
where: short stacking energy: -53.526
Base-Backbone interact. energy: -0.050
local terms energy: -62.351259
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -12.443
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: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -175.855491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.924047 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.001
local terms energy: -53.570859
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -16.621
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: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -165.635701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.635701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.721399 (E_RNA)
where:
Base-Base interactions energy: -115.895
where: short stacking energy: -45.494
Base-Backbone interact. energy: -0.014
local terms energy: -49.812307
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -8.067
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: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -162.652437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.652437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.880311 (E_RNA)
where:
Base-Base interactions energy: -115.770
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.001
local terms energy: -47.108871
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -5.795
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -15.602
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: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -192.014128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190921 (E_RNA)
where:
Base-Base interactions energy: -134.746
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.000
local terms energy: -57.444930
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -14.584
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: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -189.068967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.068967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.140412 (E_RNA)
where:
Base-Base interactions energy: -132.575
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.003
local terms energy: -56.562346
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -14.891
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: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -187.721850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.721850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.013477 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.013
local terms energy: -63.884200
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -15.454
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: 152
Temperature: 1.050000
Total energy: -188.512331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.512331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515502 (E_RNA)
where:
Base-Base interactions energy: -129.174
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.000
local terms energy: -59.341639
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -15.703
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -184.336757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.336757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.336757 (E_RNA)
where:
Base-Base interactions energy: -130.479
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.000
local terms energy: -53.857740
where:
bonds (distance) C4'-P energy: -6.702
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -181.205139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.205139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206167 (E_RNA)
where:
Base-Base interactions energy: -130.002
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.673
local terms energy: -50.531350
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.372
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: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -174.144170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.144170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.387145 (E_RNA)
where:
Base-Base interactions energy: -116.418
where: short stacking energy: -56.749
Base-Backbone interact. energy: -0.001
local terms energy: -57.968052
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -16.317
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: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -163.587125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.587125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.662227 (E_RNA)
where:
Base-Base interactions energy: -117.941
where: short stacking energy: -51.758
Base-Backbone interact. energy: -0.076
local terms energy: -45.645170
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -3.609
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -12.744
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: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -164.293871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.293871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.445673 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.003
local terms energy: -45.190729
where:
bonds (distance) C4'-P energy: -4.488
bonds (distance) P-C4' energy: -7.338
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -14.694
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: 152
Temperature: 1.350000
Total energy: -172.412456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.412456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.597674 (E_RNA)
where:
Base-Base interactions energy: -123.298
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.001
local terms energy: -49.299215
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -9.810
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: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -196.562378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.562378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.562378 (E_RNA)
where:
Base-Base interactions energy: -133.215
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.002
local terms energy: -63.345035
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -13.405
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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -189.352902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.352902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.352902 (E_RNA)
where:
Base-Base interactions energy: -128.755
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.002
local terms energy: -60.595673
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -14.239
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -185.127958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.127958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.251527 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.022
local terms energy: -57.696486
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -13.941
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: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -174.861320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.861320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.911369 (E_RNA)
where:
Base-Base interactions energy: -114.083
where: short stacking energy: -54.488
Base-Backbone interact. energy: -0.054
local terms energy: -60.774596
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -14.414
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: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -176.657640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.657640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.760412 (E_RNA)
where:
Base-Base interactions energy: -121.977
where: short stacking energy: -49.290
Base-Backbone interact. energy: -0.319
local terms energy: -54.464557
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -11.041
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -173.868538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.868538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.996778 (E_RNA)
where:
Base-Base interactions energy: -117.657
where: short stacking energy: -46.710
Base-Backbone interact. energy: 0.002
local terms energy: -56.341754
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -12.999
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: 153
Temperature: 1.200000
Total energy: -182.288715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.288715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604320 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.010
local terms energy: -54.923582
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -12.302
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -172.842825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.842825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.994446 (E_RNA)
where:
Base-Base interactions energy: -122.535
where: short stacking energy: -53.110
Base-Backbone interact. energy: -0.341
local terms energy: -50.118339
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -12.675
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: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -168.666749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.666749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.692485 (E_RNA)
where:
Base-Base interactions energy: -115.275
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.158
local terms energy: -53.259204
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -15.207
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: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -155.974420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.974420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.981484 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -43.705
Base-Backbone interact. energy: -0.003
local terms energy: -49.187799
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -9.547
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -9.398
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: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -194.966310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.966310 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -61.069
Base-Backbone interact. energy: -0.013
local terms energy: -66.557256
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -17.073
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: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -187.310913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.310913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.379500 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.006
local terms energy: -59.370112
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -12.161
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: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -183.531866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.531866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.531866 (E_RNA)
where:
Base-Base interactions energy: -123.362
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.173
local terms energy: -59.996825
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -15.331
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -181.904972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.904972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.073465 (E_RNA)
where:
Base-Base interactions energy: -130.158
where: short stacking energy: -53.291
Base-Backbone interact. energy: 0.008
local terms energy: -51.924008
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -11.928
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: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -190.050048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.050048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.153533 (E_RNA)
where:
Base-Base interactions energy: -131.952
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.001
local terms energy: -58.200858
where:
bonds (distance) C4'-P energy: -7.009
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.229
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: 154
Temperature: 1.150000
Total energy: -177.785384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842160 (E_RNA)
where:
Base-Base interactions energy: -118.232
where: short stacking energy: -45.727
Base-Backbone interact. energy: -0.014
local terms energy: -59.596257
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -14.920
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -171.108897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.108897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.181331 (E_RNA)
where:
Base-Base interactions energy: -122.847
where: short stacking energy: -49.287
Base-Backbone interact. energy: -0.114
local terms energy: -48.220614
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -11.460
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: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -174.982648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.982648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025644 (E_RNA)
where:
Base-Base interactions energy: -123.606
where: short stacking energy: -50.427
Base-Backbone interact. energy: -0.022
local terms energy: -51.397161
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -10.460
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: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -173.402591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.402591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.481396 (E_RNA)
where:
Base-Base interactions energy: -115.173
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.009
local terms energy: -58.300305
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -11.159
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: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -168.079203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.079203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.207452 (E_RNA)
where:
Base-Base interactions energy: -116.796
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.002
local terms energy: -51.408968
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -12.071
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: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -198.644789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.644789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.651823 (E_RNA)
where:
Base-Base interactions energy: -136.154
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.037
local terms energy: -62.461200
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -15.867
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: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -190.754655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.754655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.754655 (E_RNA)
where:
Base-Base interactions energy: -132.194
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.089
local terms energy: -58.471566
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -185.158624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.158624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.158624 (E_RNA)
where:
Base-Base interactions energy: -128.007
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.300
local terms energy: -56.852007
where:
bonds (distance) C4'-P energy: -5.647
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -13.944
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -180.128496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.183777 (E_RNA)
where:
Base-Base interactions energy: -126.786
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.091
local terms energy: -53.306823
where:
bonds (distance) C4'-P energy: -6.804
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -11.540
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: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -174.582849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.582849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.586517 (E_RNA)
where:
Base-Base interactions energy: -118.011
where: short stacking energy: -47.167
Base-Backbone interact. energy: -0.031
local terms energy: -56.544203
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -11.379
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: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -169.992733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.992733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.045680 (E_RNA)
where:
Base-Base interactions energy: -119.571
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.001
local terms energy: -50.473932
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -7.110
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -13.630
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: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -166.234865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.234865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.235381 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.842
local terms energy: -53.280447
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -12.173
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: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -174.449952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.449952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.494925 (E_RNA)
where:
Base-Base interactions energy: -118.003
where: short stacking energy: -51.095
Base-Backbone interact. energy: 0.002
local terms energy: -56.494287
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -12.246
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: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -171.420325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.420325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.538787 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.061
local terms energy: -52.215325
where:
bonds (distance) C4'-P energy: -8.106
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -12.211
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: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -162.145022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.145022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.212825 (E_RNA)
where:
Base-Base interactions energy: -113.223
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.260
local terms energy: -48.730206
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -11.331
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: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -192.908586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.908586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.908586 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.002
local terms energy: -61.710930
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -11.440
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: 156
Temperature: 0.950000
Total energy: -185.992107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.992107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.146905 (E_RNA)
where:
Base-Base interactions energy: -129.514
where: short stacking energy: -51.018
Base-Backbone interact. energy: -0.487
local terms energy: -56.146697
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -12.750
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -187.190602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.243813 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.345
local terms energy: -58.385395
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -13.730
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -182.112226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.122562 (E_RNA)
where:
Base-Base interactions energy: -126.325
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.029
local terms energy: -55.768519
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -13.492
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -175.885223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901565 (E_RNA)
where:
Base-Base interactions energy: -124.730
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.048
local terms energy: -51.123948
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -13.296
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: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -178.853138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.853138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.989185 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.573
local terms energy: -53.642437
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -13.372
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: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -176.511846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.511846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.511846 (E_RNA)
where:
Base-Base interactions energy: -118.891
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.049
local terms energy: -57.571962
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -166.304938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.304938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.305454 (E_RNA)
where:
Base-Base interactions energy: -115.768
where: short stacking energy: -52.515
Base-Backbone interact. energy: -0.002
local terms energy: -50.534961
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -12.186
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: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -164.167984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.167984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.168788 (E_RNA)
where:
Base-Base interactions energy: -117.000
where: short stacking energy: -48.062
Base-Backbone interact. energy: -0.004
local terms energy: -47.164528
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -11.637
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: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -158.070997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.070997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.346362 (E_RNA)
where:
Base-Base interactions energy: -105.313
where: short stacking energy: -40.300
Base-Backbone interact. energy: -0.001
local terms energy: -53.032898
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -12.044
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: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -193.757662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.757662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.820826 (E_RNA)
where:
Base-Base interactions energy: -127.581
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.086
local terms energy: -66.153879
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -16.464
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: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -195.304036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.304036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.309259 (E_RNA)
where:
Base-Base interactions energy: -131.083
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.006
local terms energy: -64.220567
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -15.085
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: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -187.780487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.780487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862654 (E_RNA)
where:
Base-Base interactions energy: -129.340
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.002
local terms energy: -58.520638
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -15.778
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: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -182.936005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.936005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.020196 (E_RNA)
where:
Base-Base interactions energy: -125.148
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.031
local terms energy: -57.840528
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -15.843
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: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -182.595871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.833201 (E_RNA)
where:
Base-Base interactions energy: -126.115
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.004
local terms energy: -56.714138
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -7.501
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.119
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: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -178.811821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.811821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.811821 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -56.972
Base-Backbone interact. energy: 1.612
local terms energy: -56.390113
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -12.643
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -178.737319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.784232 (E_RNA)
where:
Base-Base interactions energy: -123.687
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.018
local terms energy: -55.079254
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -13.840
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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -179.925826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.925826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.925826 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.002
local terms energy: -57.143128
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -167.739620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.739620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.872229 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.411
local terms energy: -50.767377
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -7.921
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -10.906
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: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -163.656800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.656800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858018 (E_RNA)
where:
Base-Base interactions energy: -122.860
where: short stacking energy: -50.802
Base-Backbone interact. energy: -0.070
local terms energy: -40.928302
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -8.910
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -2.921
tors. eta vs tors. theta energy: -12.275
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -194.628616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.628616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.636610 (E_RNA)
where:
Base-Base interactions energy: -133.056
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.004
local terms energy: -61.575979
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -15.110
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: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -184.390646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.395677 (E_RNA)
where:
Base-Base interactions energy: -125.112
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.000
local terms energy: -59.283370
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -16.197
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: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -185.320341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.394847 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.003
local terms energy: -57.449006
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -14.316
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: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -188.251331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.251331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378842 (E_RNA)
where:
Base-Base interactions energy: -132.281
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.007
local terms energy: -56.090905
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.584
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -182.250568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.250568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.292755 (E_RNA)
where:
Base-Base interactions energy: -128.051
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.155
local terms energy: -54.086822
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -14.118
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -181.003151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.003151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.018876 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.101
local terms energy: -55.992183
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -13.946
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: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -180.953711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.953711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.007212 (E_RNA)
where:
Base-Base interactions energy: -123.406
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.009
local terms energy: -57.592025
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -15.665
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -171.086098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.086098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.105896 (E_RNA)
where:
Base-Base interactions energy: -120.310
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.255
local terms energy: -50.540307
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.020 (S_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: 158
Temperature: 1.300000
Total energy: -163.657973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.657973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.741112 (E_RNA)
where:
Base-Base interactions energy: -112.900
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.099
local terms energy: -50.741978
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -7.233
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -14.900
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -152.775859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.775859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.888679 (E_RNA)
where:
Base-Base interactions energy: -109.299
where: short stacking energy: -40.300
Base-Backbone interact. energy: -0.002
local terms energy: -43.587551
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -5.391
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: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -193.685841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.685841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713517 (E_RNA)
where:
Base-Base interactions energy: -133.892
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.000
local terms energy: -59.821228
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.198
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: 159
Temperature: 0.950000
Total energy: -193.506551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.506551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.506551 (E_RNA)
where:
Base-Base interactions energy: -128.984
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.011
local terms energy: -64.511407
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.967
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: 159
Temperature: 1.000000
Total energy: -185.378213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.378213 (E_RNA)
where:
Base-Base interactions energy: -126.837
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.017
local terms energy: -58.523945
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -15.543
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: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -188.657161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.657161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.657161 (E_RNA)
where:
Base-Base interactions energy: -131.881
where: short stacking energy: -59.997
Base-Backbone interact. energy: -0.008
local terms energy: -56.767602
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -15.993
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: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -181.876325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876325 (E_RNA)
where:
Base-Base interactions energy: -120.255
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.001
local terms energy: -61.620116
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -177.055998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.055998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098327 (E_RNA)
where:
Base-Base interactions energy: -119.252
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.045
local terms energy: -57.801922
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -11.832
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: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -168.542642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.542642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.721657 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.001
local terms energy: -54.898859
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -12.550
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: 159
Temperature: 1.250000
Total energy: -179.069995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.069995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.069995 (E_RNA)
where:
Base-Base interactions energy: -121.115
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.052
local terms energy: -57.902928
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -161.241624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.297938 (E_RNA)
where:
Base-Base interactions energy: -114.539
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.049
local terms energy: -46.709561
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -9.294
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: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -164.673300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.673300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.693382 (E_RNA)
where:
Base-Base interactions energy: -121.347
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.038
local terms energy: -43.308746
where:
bonds (distance) C4'-P energy: -5.724
bonds (distance) P-C4' energy: -3.993
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -194.158710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.186495 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.001
local terms energy: -62.718595
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -15.640
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -192.427718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.427718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.504849 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.001
local terms energy: -61.586368
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -15.093
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: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -185.224087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.224087 (E_RNA)
where:
Base-Base interactions energy: -129.751
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.016
local terms energy: -55.456571
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -14.237
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: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -180.336328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.336328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.489012 (E_RNA)
where:
Base-Base interactions energy: -121.484
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.026
local terms energy: -58.979208
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.756
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: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -179.740424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.740424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.763724 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -51.962
Base-Backbone interact. energy: -0.046
local terms energy: -57.042822
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -8.090
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -13.995
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: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -179.420571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.420571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.431630 (E_RNA)
where:
Base-Base interactions energy: -121.286
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.002
local terms energy: -58.143665
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.291
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: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -174.990238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.990238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.036836 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.436
local terms energy: -47.589604
where:
bonds (distance) C4'-P energy: -5.850
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -13.333
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: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -173.776963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.776963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.873336 (E_RNA)
where:
Base-Base interactions energy: -118.401
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.000
local terms energy: -55.472269
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -17.063
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: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -167.226036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.226036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.226036 (E_RNA)
where:
Base-Base interactions energy: -116.511
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.006
local terms energy: -50.708738
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -8.027
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -165.053888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.053888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.238399 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.046
local terms energy: -51.321051
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -15.827
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: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -195.471464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.471464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.471464 (E_RNA)
where:
Base-Base interactions energy: -126.537
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.659
local terms energy: -68.275190
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.311
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: 161
Temperature: 0.950000
Total energy: -192.237592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.237592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.409976 (E_RNA)
where:
Base-Base interactions energy: -131.096
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.001
local terms energy: -61.312707
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -16.930
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: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -184.394157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.394157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.451982 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -54.214
Base-Backbone interact. energy: -0.020
local terms energy: -62.082644
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -15.668
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: 161
Temperature: 1.050000
Total energy: -182.934774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.934774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.045499 (E_RNA)
where:
Base-Base interactions energy: -127.553
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.002
local terms energy: -55.490524
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -15.472
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -178.193454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.388313 (E_RNA)
where:
Base-Base interactions energy: -126.838
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.018
local terms energy: -51.532351
where:
bonds (distance) C4'-P energy: -5.540
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -13.344
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: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -181.238501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.238501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.266017 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.003
local terms energy: -53.396656
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -15.789
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: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -171.266049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.266049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.286138 (E_RNA)
where:
Base-Base interactions energy: -119.531
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.000
local terms energy: -51.754588
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.020 (S_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: 161
Temperature: 1.250000
Total energy: -169.055151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.055151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.171771 (E_RNA)
where:
Base-Base interactions energy: -116.019
where: short stacking energy: -46.426
Base-Backbone interact. energy: -0.004
local terms energy: -53.148913
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -7.894
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -13.465
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -161.723711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.723711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.793451 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.080
local terms energy: -42.044535
where:
bonds (distance) C4'-P energy: -3.849
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -10.148
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: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -159.655863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.655863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.021698 (E_RNA)
where:
Base-Base interactions energy: -113.123
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.172
local terms energy: -46.726881
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -9.382
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: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -193.959885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.959885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.995063 (E_RNA)
where:
Base-Base interactions energy: -133.034
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.008
local terms energy: -60.952605
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -18.001
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: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -188.663332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.736824 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.265
local terms energy: -59.218802
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -13.912
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: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -184.969228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.969228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.969228 (E_RNA)
where:
Base-Base interactions energy: -123.859
where: short stacking energy: -50.019
Base-Backbone interact. energy: -0.258
local terms energy: -60.851575
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.285
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: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -189.634430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.261154 (E_RNA)
where:
Base-Base interactions energy: -129.075
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.001
local terms energy: -61.185228
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -18.271
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -180.748042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.748042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.836162 (E_RNA)
where:
Base-Base interactions energy: -125.942
where: short stacking energy: -53.218
Base-Backbone interact. energy: -0.002
local terms energy: -54.892831
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -13.595
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: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -171.296359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296359 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -47.115
Base-Backbone interact. energy: -0.087
local terms energy: -52.625067
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -12.181
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -175.045521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.045521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.046172 (E_RNA)
where:
Base-Base interactions energy: -123.841
where: short stacking energy: -44.616
Base-Backbone interact. energy: -0.170
local terms energy: -51.036000
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -11.047
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -166.074735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.074735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.158123 (E_RNA)
where:
Base-Base interactions energy: -110.566
where: short stacking energy: -49.880
Base-Backbone interact. energy: -0.001
local terms energy: -55.591488
where:
bonds (distance) C4'-P energy: -7.622
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -14.923
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: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -170.935770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.935770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.951488 (E_RNA)
where:
Base-Base interactions energy: -115.459
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.001
local terms energy: -55.492129
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -8.638
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -16.262
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -168.162785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.162785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232180 (E_RNA)
where:
Base-Base interactions energy: -117.551
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.212
local terms energy: -50.468585
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -13.547
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: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -192.706941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.706941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.751269 (E_RNA)
where:
Base-Base interactions energy: -131.017
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.289
local terms energy: -61.445839
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -13.941
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: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -194.171962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.302520 (E_RNA)
where:
Base-Base interactions energy: -134.474
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.000
local terms energy: -59.828316
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.925
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: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -185.421153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.421153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.429196 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.110
local terms energy: -59.217829
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -13.439
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: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -184.411926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.411926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.411926 (E_RNA)
where:
Base-Base interactions energy: -126.339
where: short stacking energy: -55.025
Base-Backbone interact. energy: -0.021
local terms energy: -58.052037
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -13.483
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: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -188.443800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.443800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.576560 (E_RNA)
where:
Base-Base interactions energy: -127.618
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.006
local terms energy: -60.952347
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -15.243
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: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -179.107912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.107912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.342177 (E_RNA)
where:
Base-Base interactions energy: -123.980
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.484
local terms energy: -54.878282
where:
bonds (distance) C4'-P energy: -6.284
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -14.107
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: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -165.871494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.871494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.997073 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.002
local terms energy: -50.875141
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -7.617
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -11.514
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: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -171.262341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.262341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.305280 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -52.513
Base-Backbone interact. energy: 1.620
local terms energy: -39.840171
where:
bonds (distance) C4'-P energy: -5.734
bonds (distance) P-C4' energy: -5.295
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -11.576
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: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -177.742577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.742577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794432 (E_RNA)
where:
Base-Base interactions energy: -123.017
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.008
local terms energy: -54.769894
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.511
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -178.051659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.060221 (E_RNA)
where:
Base-Base interactions energy: -118.166
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.000
local terms energy: -59.893820
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -11.887
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -191.078267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147027 (E_RNA)
where:
Base-Base interactions energy: -132.719
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.003
local terms energy: -58.425581
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -16.938
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: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -189.274857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.274857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.289931 (E_RNA)
where:
Base-Base interactions energy: -126.385
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.000
local terms energy: -62.904369
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -17.360
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: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -190.384870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384870 (E_RNA)
where:
Base-Base interactions energy: -128.459
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.045
local terms energy: -61.880370
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -15.729
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -187.810236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.810236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.811077 (E_RNA)
where:
Base-Base interactions energy: -132.072
where: short stacking energy: -54.552
Base-Backbone interact. energy: -1.162
local terms energy: -54.576837
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -14.717
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: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -177.367701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.367701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.422760 (E_RNA)
where:
Base-Base interactions energy: -122.914
where: short stacking energy: -51.956
Base-Backbone interact. energy: -0.000
local terms energy: -54.508720
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -14.373
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -183.208097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.208097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.259279 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.002
local terms energy: -58.692666
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -16.647
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: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -178.462770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.495444 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.001
local terms energy: -53.491706
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -15.254
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -166.563574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.563574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.580186 (E_RNA)
where:
Base-Base interactions energy: -113.925
where: short stacking energy: -45.901
Base-Backbone interact. energy: -0.083
local terms energy: -52.572886
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -12.489
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -166.956333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.956333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.002402 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -51.841
Base-Backbone interact. energy: 0.795
local terms energy: -51.784784
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -6.230
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -14.148
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: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -163.913155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.913155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.924727 (E_RNA)
where:
Base-Base interactions energy: -111.474
where: short stacking energy: -49.146
Base-Backbone interact. energy: -0.013
local terms energy: -52.437597
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -11.148
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: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -193.081281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.081281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.081596 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.002
local terms energy: -56.753347
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -16.494
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: 165
Temperature: 0.950000
Total energy: -193.719682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.719682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.719682 (E_RNA)
where:
Base-Base interactions energy: -133.319
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.005
local terms energy: -60.395334
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -15.163
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: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -194.928191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.928191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.931537 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.000
local terms energy: -62.184487
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -14.734
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: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -185.010510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.152432 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.012
local terms energy: -54.893381
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -14.061
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: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -186.023051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.023051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.036689 (E_RNA)
where:
Base-Base interactions energy: -125.617
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.067
local terms energy: -60.352581
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -13.236
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: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -182.880236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.880236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.880236 (E_RNA)
where:
Base-Base interactions energy: -126.289
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.035
local terms energy: -56.556510
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -14.069
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: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -165.692585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.692585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.719006 (E_RNA)
where:
Base-Base interactions energy: -115.703
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.067
local terms energy: -49.948907
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -10.768
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: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -163.724622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.724622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.977798 (E_RNA)
where:
Base-Base interactions energy: -111.264
where: short stacking energy: -49.174
Base-Backbone interact. energy: -0.175
local terms energy: -52.539300
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -13.115
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -170.553842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.553842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.631944 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.073
local terms energy: -54.076464
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -13.761
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: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -164.219302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.219302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.551980 (E_RNA)
where:
Base-Base interactions energy: -114.119
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.000
local terms energy: -50.432352
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -14.815
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: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -194.336748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.415974 (E_RNA)
where:
Base-Base interactions energy: -130.148
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.006
local terms energy: -64.262188
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -17.434
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: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -194.966268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.998543 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.016
local terms energy: -58.160385
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -16.463
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: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -191.231644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.353561 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.038
local terms energy: -59.586279
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -16.687
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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -176.595642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.595642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.652964 (E_RNA)
where:
Base-Base interactions energy: -124.267
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.064
local terms energy: -52.322258
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -15.816
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: 166
Temperature: 1.100000
Total energy: -186.048955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.048955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.092206 (E_RNA)
where:
Base-Base interactions energy: -126.078
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.015
local terms energy: -59.999432
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -17.128
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: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -180.487618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.487618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.533418 (E_RNA)
where:
Base-Base interactions energy: -125.248
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.243
local terms energy: -55.042563
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -10.476
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -176.523307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.523307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.667669 (E_RNA)
where:
Base-Base interactions energy: -124.972
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.374
local terms energy: -51.322535
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -11.764
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: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -160.714730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.759576 (E_RNA)
where:
Base-Base interactions energy: -116.065
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.005
local terms energy: -44.689425
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -11.563
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: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -167.197140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.197140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.277408 (E_RNA)
where:
Base-Base interactions energy: -116.913
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.000
local terms energy: -50.363769
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -11.584
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -168.179066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.179066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.237580 (E_RNA)
where:
Base-Base interactions energy: -116.582
where: short stacking energy: -50.893
Base-Backbone interact. energy: -1.106
local terms energy: -50.550039
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -10.332
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: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -195.029666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.029666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.029666 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.029
local terms energy: -63.212366
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -16.235
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: 167
Temperature: 0.950000
Total energy: -194.868089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.868089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.940848 (E_RNA)
where:
Base-Base interactions energy: -133.044
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.015
local terms energy: -61.881874
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -17.734
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -186.583425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616144 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.067
local terms energy: -57.771775
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -15.289
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: 167
Temperature: 1.050000
Total energy: -184.099917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.099917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.099917 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.018
local terms energy: -55.444255
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -178.439091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457207 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.001
local terms energy: -49.320587
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -13.344
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: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -156.316632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.316632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.347669 (E_RNA)
where:
Base-Base interactions energy: -109.606
where: short stacking energy: -41.023
Base-Backbone interact. energy: -0.037
local terms energy: -46.703883
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -6.797
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -176.563204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.627898 (E_RNA)
where:
Base-Base interactions energy: -120.500
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.001
local terms energy: -56.126841
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -15.492
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: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -167.644588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.644588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.657062 (E_RNA)
where:
Base-Base interactions energy: -115.270
where: short stacking energy: -46.437
Base-Backbone interact. energy: -0.065
local terms energy: -52.321503
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -11.268
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: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -161.900867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.900867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.984586 (E_RNA)
where:
Base-Base interactions energy: -109.694
where: short stacking energy: -46.105
Base-Backbone interact. energy: -0.008
local terms energy: -52.282630
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -9.860
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: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -167.879233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.879233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.911246 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.001
local terms energy: -49.799400
where:
bonds (distance) C4'-P energy: -6.409
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -14.926
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: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -191.732556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.768113 (E_RNA)
where:
Base-Base interactions energy: -129.213
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.009
local terms energy: -62.545862
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.301
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: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -193.050312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.050312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.050312 (E_RNA)
where:
Base-Base interactions energy: -132.200
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.092
local terms energy: -60.758039
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -15.531
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: 168
Temperature: 1.000000
Total energy: -191.073742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.073742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.160727 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -61.746
Base-Backbone interact. energy: -0.177
local terms energy: -62.916054
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -17.212
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: 168
Temperature: 1.050000
Total energy: -186.305736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.305736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.305736 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -55.867
Base-Backbone interact. energy: -0.252
local terms energy: -48.605909
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -13.317
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: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -177.221688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.221688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.221688 (E_RNA)
where:
Base-Base interactions energy: -127.312
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.353
local terms energy: -49.557023
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -12.411
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -180.892710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.892710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.892710 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.019
local terms energy: -61.538624
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -15.138
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: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -168.807627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.807627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233731 (E_RNA)
where:
Base-Base interactions energy: -118.971
where: short stacking energy: -52.239
Base-Backbone interact. energy: -0.157
local terms energy: -50.105370
where:
bonds (distance) C4'-P energy: -5.333
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -13.246
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: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -178.781204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.781204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.816166 (E_RNA)
where:
Base-Base interactions energy: -127.592
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.001
local terms energy: -51.222832
where:
bonds (distance) C4'-P energy: -5.304
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -14.169
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -166.865341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.865341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.004490 (E_RNA)
where:
Base-Base interactions energy: -115.095
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.099
local terms energy: -51.810554
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -8.948
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.941
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: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -158.215228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.215228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.388742 (E_RNA)
where:
Base-Base interactions energy: -115.000
where: short stacking energy: -40.689
Base-Backbone interact. energy: -1.356
local terms energy: -42.032728
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -7.703
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -8.949
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: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -196.360181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.360181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.372389 (E_RNA)
where:
Base-Base interactions energy: -135.098
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.133
local terms energy: -61.141216
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -16.707
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: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -193.546962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.546962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562191 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.015
local terms energy: -65.382879
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -16.814
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -187.343971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.343971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.402784 (E_RNA)
where:
Base-Base interactions energy: -127.656
where: short stacking energy: -57.306
Base-Backbone interact. energy: 1.797
local terms energy: -61.543935
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -15.036
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: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -181.923751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.126748 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -52.490
Base-Backbone interact. energy: 0.606
local terms energy: -52.182097
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -10.065
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: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -179.369717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.369717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.428182 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -51.397
Base-Backbone interact. energy: -0.042
local terms energy: -50.309012
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -10.516
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -180.962931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.962931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.004380 (E_RNA)
where:
Base-Base interactions energy: -120.989
where: short stacking energy: -53.470
Base-Backbone interact. energy: -1.207
local terms energy: -58.808328
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -14.084
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: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -171.743254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.766469 (E_RNA)
where:
Base-Base interactions energy: -122.464
where: short stacking energy: -55.000
Base-Backbone interact. energy: 0.206
local terms energy: -49.508371
where:
bonds (distance) C4'-P energy: -3.341
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -15.741
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: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -173.508443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.508443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.836826 (E_RNA)
where:
Base-Base interactions energy: -118.833
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.055
local terms energy: -54.949182
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -13.323
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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -176.210522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.210522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.236677 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.009
local terms energy: -59.280940
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -17.431
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: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -163.381866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.381866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.020132 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.322
local terms energy: -48.171192
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -5.346
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: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -193.597733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.597733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.612339 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.029
local terms energy: -62.737472
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -18.327
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: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -191.867185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.867185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869043 (E_RNA)
where:
Base-Base interactions energy: -130.263
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.001
local terms energy: -61.605122
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -188.404049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.404049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.549087 (E_RNA)
where:
Base-Base interactions energy: -130.934
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.649
local terms energy: -56.966557
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -13.364
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: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -182.909641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.909641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.909641 (E_RNA)
where:
Base-Base interactions energy: -131.884
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.003
local terms energy: -51.023165
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -11.249
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: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -183.810557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.810557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.847740 (E_RNA)
where:
Base-Base interactions energy: -126.981
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.008
local terms energy: -56.858221
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -14.941
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -182.723794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.723794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.743290 (E_RNA)
where:
Base-Base interactions energy: -124.956
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.011
local terms energy: -57.776303
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -14.924
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: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -182.958613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.958613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023858 (E_RNA)
where:
Base-Base interactions energy: -124.130
where: short stacking energy: -58.753
Base-Backbone interact. energy: -0.004
local terms energy: -58.889796
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -16.257
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: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -172.370632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.370632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.444797 (E_RNA)
where:
Base-Base interactions energy: -119.893
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.361
local terms energy: -52.190125
where:
bonds (distance) C4'-P energy: -7.395
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -14.047
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: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -170.116188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.116188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.116188 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -50.381
Base-Backbone interact. energy: 0.584
local terms energy: -54.503374
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -164.320955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.320955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.320955 (E_RNA)
where:
Base-Base interactions energy: -117.418
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.008
local terms energy: -46.895216
where:
bonds (distance) C4'-P energy: -6.604
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -195.754757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.754757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.763030 (E_RNA)
where:
Base-Base interactions energy: -131.477
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.003
local terms energy: -64.282727
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -18.937
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: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -188.111939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.111939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.282930 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -50.058
Base-Backbone interact. energy: -0.031
local terms energy: -59.530631
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -15.042
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: 171
Temperature: 1.000000
Total energy: -188.976961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.976961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058847 (E_RNA)
where:
Base-Base interactions energy: -130.976
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.299
local terms energy: -57.783546
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -13.772
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -185.945384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.945384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.285203 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -55.607
Base-Backbone interact. energy: 0.117
local terms energy: -64.010853
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -14.310
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: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -176.684751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.684751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.772213 (E_RNA)
where:
Base-Base interactions energy: -122.216
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.004
local terms energy: -54.552152
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -15.147
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: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -182.705964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.705964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.937302 (E_RNA)
where:
Base-Base interactions energy: -123.850
where: short stacking energy: -57.379
Base-Backbone interact. energy: -1.920
local terms energy: -57.167653
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -14.248
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -180.838332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.838332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.852509 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -57.263
Base-Backbone interact. energy: -0.003
local terms energy: -55.282438
where:
bonds (distance) C4'-P energy: -8.024
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -16.772
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: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -168.885562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.885562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.897352 (E_RNA)
where:
Base-Base interactions energy: -114.940
where: short stacking energy: -41.223
Base-Backbone interact. energy: -0.527
local terms energy: -53.429868
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -12.077
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -171.150108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.150108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.204373 (E_RNA)
where:
Base-Base interactions energy: -119.384
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.003
local terms energy: -51.817130
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -15.591
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -169.253061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.253061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.354824 (E_RNA)
where:
Base-Base interactions energy: -117.701
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.040
local terms energy: -51.613633
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -12.510
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: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -188.517468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.517468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522890 (E_RNA)
where:
Base-Base interactions energy: -132.770
where: short stacking energy: -54.783
Base-Backbone interact. energy: -0.224
local terms energy: -55.529385
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -12.102
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: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -189.774927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.774927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.775731 (E_RNA)
where:
Base-Base interactions energy: -128.362
where: short stacking energy: -58.843
Base-Backbone interact. energy: -0.003
local terms energy: -61.410852
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -15.188
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -192.206466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.206466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.239715 (E_RNA)
where:
Base-Base interactions energy: -133.040
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.143
local terms energy: -59.056602
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -13.641
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: 172
Temperature: 1.050000
Total energy: -188.949963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.949963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.949963 (E_RNA)
where:
Base-Base interactions energy: -130.635
where: short stacking energy: -58.845
Base-Backbone interact. energy: -0.264
local terms energy: -58.051663
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -14.269
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: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -180.459084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.459084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559906 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.198
local terms energy: -60.207013
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -14.245
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: 172
Temperature: 1.150000
Total energy: -176.869330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.869330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.900837 (E_RNA)
where:
Base-Base interactions energy: -120.311
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.610
local terms energy: -55.979438
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -15.808
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: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -166.214452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.214452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.379340 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.301
local terms energy: -49.039163
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -8.765
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -164.626009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.626009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.684000 (E_RNA)
where:
Base-Base interactions energy: -111.043
where: short stacking energy: -43.870
Base-Backbone interact. energy: -0.103
local terms energy: -53.537257
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -9.850
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: 172
Temperature: 1.300000
Total energy: -169.237047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.237047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.278704 (E_RNA)
where:
Base-Base interactions energy: -119.574
where: short stacking energy: -45.301
Base-Backbone interact. energy: -0.646
local terms energy: -49.058889
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -10.906
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: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -164.060249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.060249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.159808 (E_RNA)
where:
Base-Base interactions energy: -120.706
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.002
local terms energy: -43.452058
where:
bonds (distance) C4'-P energy: 0.200
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.482
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: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -186.249816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.249816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.382259 (E_RNA)
where:
Base-Base interactions energy: -126.244
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.054
local terms energy: -60.084810
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -16.161
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -184.752894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.792821 (E_RNA)
where:
Base-Base interactions energy: -125.182
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.015
local terms energy: -59.595343
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -11.908
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: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -187.767449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.767449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.767449 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -58.245
Base-Backbone interact. energy: 0.374
local terms energy: -58.890749
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -8.251
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -14.753
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: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -182.589866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.589866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.742907 (E_RNA)
where:
Base-Base interactions energy: -126.836
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.004
local terms energy: -55.903262
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -15.245
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -185.505582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.505582 (E_RNA)
where:
Base-Base interactions energy: -129.324
where: short stacking energy: -59.430
Base-Backbone interact. energy: -0.006
local terms energy: -56.175480
where:
bonds (distance) C4'-P energy: -5.370
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -174.960607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.960607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.092614 (E_RNA)
where:
Base-Base interactions energy: -116.240
where: short stacking energy: -47.104
Base-Backbone interact. energy: -1.100
local terms energy: -57.753042
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -11.408
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: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -172.035160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.035160 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.001
local terms energy: -43.745424
where:
bonds (distance) C4'-P energy: -4.091
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -169.098737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.098737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.098737 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -50.138
Base-Backbone interact. energy: -0.067
local terms energy: -49.654538
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -6.937
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -163.202588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.202588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.234968 (E_RNA)
where:
Base-Base interactions energy: -112.730
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.027
local terms energy: -50.478054
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -11.846
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: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -158.432193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.432193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.432193 (E_RNA)
where:
Base-Base interactions energy: -106.578
where: short stacking energy: -43.513
Base-Backbone interact. energy: -0.041
local terms energy: -51.813267
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -193.269692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269692 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -60.063
Base-Backbone interact. energy: 0.387
local terms energy: -61.724397
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -189.069279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.069279 (E_RNA)
where:
Base-Base interactions energy: -132.127
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.005
local terms energy: -56.937528
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -12.536
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: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -187.595413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.595413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.697029 (E_RNA)
where:
Base-Base interactions energy: -130.633
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.027
local terms energy: -57.036989
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -12.619
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: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -182.622549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.622549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803022 (E_RNA)
where:
Base-Base interactions energy: -123.875
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.061
local terms energy: -58.867254
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -13.716
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: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -181.156714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.156714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223691 (E_RNA)
where:
Base-Base interactions energy: -122.730
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.022
local terms energy: -58.471102
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -15.703
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: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -180.854608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.854608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.879681 (E_RNA)
where:
Base-Base interactions energy: -126.974
where: short stacking energy: -54.578
Base-Backbone interact. energy: -0.003
local terms energy: -53.902517
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -12.104
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: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -173.306263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.306263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.318847 (E_RNA)
where:
Base-Base interactions energy: -118.559
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.633
local terms energy: -54.127153
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.682
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: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -176.764354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.764354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.009602 (E_RNA)
where:
Base-Base interactions energy: -123.740
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.000
local terms energy: -53.268991
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -15.507
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: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -166.207151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.207151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.565495 (E_RNA)
where:
Base-Base interactions energy: -116.604
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.023
local terms energy: -49.938457
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -11.888
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: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -171.394611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.394611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.433116 (E_RNA)
where:
Base-Base interactions energy: -120.468
where: short stacking energy: -45.336
Base-Backbone interact. energy: -0.196
local terms energy: -50.769529
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -9.718
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: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -190.689261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.689261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.770660 (E_RNA)
where:
Base-Base interactions energy: -126.783
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.499
local terms energy: -63.488984
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -13.185
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: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -192.246820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.246820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.246820 (E_RNA)
where:
Base-Base interactions energy: -130.559
where: short stacking energy: -61.025
Base-Backbone interact. energy: -0.097
local terms energy: -61.590594
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -15.770
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: 175
Temperature: 1.000000
Total energy: -188.430303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.430303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.948109 (E_RNA)
where:
Base-Base interactions energy: -129.294
where: short stacking energy: -49.854
Base-Backbone interact. energy: -0.836
local terms energy: -58.818331
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -14.365
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: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -183.731639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.731639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.922873 (E_RNA)
where:
Base-Base interactions energy: -127.422
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.070
local terms energy: -56.430684
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -13.963
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: 175
Temperature: 1.100000
Total energy: -171.171180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.171180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.531932 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.007
local terms energy: -43.475110
where:
bonds (distance) C4'-P energy: -5.468
bonds (distance) P-C4' energy: -7.468
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -12.857
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: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -181.930717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.100651 (E_RNA)
where:
Base-Base interactions energy: -122.230
where: short stacking energy: -51.011
Base-Backbone interact. energy: -0.779
local terms energy: -59.091853
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -13.517
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -166.709373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.709373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.748102 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -40.850
Base-Backbone interact. energy: -0.478
local terms energy: -48.274384
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -8.778
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: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -171.052125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.052125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.139921 (E_RNA)
where:
Base-Base interactions energy: -117.731
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.034
local terms energy: -53.374728
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -7.128
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -14.099
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: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -165.467010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.467010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.483274 (E_RNA)
where:
Base-Base interactions energy: -112.889
where: short stacking energy: -49.374
Base-Backbone interact. energy: -0.128
local terms energy: -52.466777
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -11.525
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: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -155.640213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.640213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.746340 (E_RNA)
where:
Base-Base interactions energy: -111.609
where: short stacking energy: -41.866
Base-Backbone interact. energy: -0.430
local terms energy: -43.707110
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -7.661
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -8.314
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: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -195.047267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.147194 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -65.385
Base-Backbone interact. energy: -0.016
local terms energy: -63.424423
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -15.146
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: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -191.906287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.954089 (E_RNA)
where:
Base-Base interactions energy: -135.146
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.161
local terms energy: -56.646814
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.735
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -189.059997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.059997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.066800 (E_RNA)
where:
Base-Base interactions energy: -130.337
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.022
local terms energy: -58.707175
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -13.807
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: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -185.961193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.961193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.961193 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.290
local terms energy: -57.121033
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -13.534
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: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -187.464445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.464445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.464445 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.020
local terms energy: -57.378316
where:
bonds (distance) C4'-P energy: -6.450
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -17.039
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -179.220321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.304620 (E_RNA)
where:
Base-Base interactions energy: -128.107
where: short stacking energy: -59.208
Base-Backbone interact. energy: -0.001
local terms energy: -51.196273
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -13.405
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: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -181.753013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.753013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.823373 (E_RNA)
where:
Base-Base interactions energy: -125.071
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.042
local terms energy: -56.710447
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -5.562
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -16.082
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: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -175.230176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.230176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385224 (E_RNA)
where:
Base-Base interactions energy: -116.432
where: short stacking energy: -53.833
Base-Backbone interact. energy: -0.000
local terms energy: -58.953255
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -16.037
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -177.007691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.513742 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -51.681
Base-Backbone interact. energy: -0.010
local terms energy: -55.563592
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -13.639
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: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -170.921659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.965765 (E_RNA)
where:
Base-Base interactions energy: -116.860
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.002
local terms energy: -54.104225
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -11.641
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: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -195.642095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.642095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709831 (E_RNA)
where:
Base-Base interactions energy: -132.172
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.019
local terms energy: -63.519097
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -17.932
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -188.341056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.341056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.341240 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -58.850
Base-Backbone interact. energy: 0.398
local terms energy: -60.375904
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -17.339
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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -187.237915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.237915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.387296 (E_RNA)
where:
Base-Base interactions energy: -128.545
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.000
local terms energy: -58.842113
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -15.065
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: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -180.428281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.428281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.433898 (E_RNA)
where:
Base-Base interactions energy: -121.625
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.441
local terms energy: -58.368481
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -14.877
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: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -186.250675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.269459 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -54.799
Base-Backbone interact. energy: -0.005
local terms energy: -53.151761
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -11.212
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: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -176.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.306790 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.252
local terms energy: -51.669130
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -14.386
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: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -170.915000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.915000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.058357 (E_RNA)
where:
Base-Base interactions energy: -123.654
where: short stacking energy: -47.928
Base-Backbone interact. energy: -0.017
local terms energy: -47.387700
where:
bonds (distance) C4'-P energy: -5.903
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -12.490
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: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -169.489790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.489790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.603694 (E_RNA)
where:
Base-Base interactions energy: -120.468
where: short stacking energy: -51.728
Base-Backbone interact. energy: -0.030
local terms energy: -49.105609
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -11.644
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: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -167.865773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.865773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.138277 (E_RNA)
where:
Base-Base interactions energy: -119.035
where: short stacking energy: -44.282
Base-Backbone interact. energy: 0.570
local terms energy: -49.673506
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -11.693
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: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -162.968378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.988980 (E_RNA)
where:
Base-Base interactions energy: -110.690
where: short stacking energy: -43.888
Base-Backbone interact. energy: -0.177
local terms energy: -52.121775
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -10.462
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: 178
Temperature: 0.900000
Total energy: -196.902259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.902259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.902259 (E_RNA)
where:
Base-Base interactions energy: -136.715
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.019
local terms energy: -60.168361
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -17.974
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: 178
Temperature: 0.950000
Total energy: -194.659561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.659561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.659561 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.000
local terms energy: -60.953197
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -185.361203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.361203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.372970 (E_RNA)
where:
Base-Base interactions energy: -132.174
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.001
local terms energy: -53.197308
where:
bonds (distance) C4'-P energy: -6.273
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -15.719
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -184.127988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.127988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.351502 (E_RNA)
where:
Base-Base interactions energy: -127.961
where: short stacking energy: -56.253
Base-Backbone interact. energy: 0.586
local terms energy: -56.976746
where:
bonds (distance) C4'-P energy: -8.446
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -13.385
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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -173.089993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.089993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.129613 (E_RNA)
where:
Base-Base interactions energy: -126.496
where: short stacking energy: -49.505
Base-Backbone interact. energy: 0.152
local terms energy: -46.784956
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -12.010
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -173.128714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.128714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.190182 (E_RNA)
where:
Base-Base interactions energy: -120.416
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.032
local terms energy: -52.742782
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -13.149
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: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -178.821262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.821262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.037032 (E_RNA)
where:
Base-Base interactions energy: -121.741
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.045
local terms energy: -57.251710
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -14.183
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: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -167.906456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.906456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.944870 (E_RNA)
where:
Base-Base interactions energy: -110.169
where: short stacking energy: -46.817
Base-Backbone interact. energy: -0.001
local terms energy: -57.775021
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -11.672
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: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -169.711895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.711895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.737005 (E_RNA)
where:
Base-Base interactions energy: -117.137
where: short stacking energy: -52.676
Base-Backbone interact. energy: 0.377
local terms energy: -52.976697
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -10.729
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: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -165.555367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.555367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966929 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -53.029
Base-Backbone interact. energy: -0.002
local terms energy: -55.315043
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -14.523
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: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -193.638501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.638501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.701884 (E_RNA)
where:
Base-Base interactions energy: -127.587
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.022
local terms energy: -66.092905
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.907
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: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -194.435689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.435689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456029 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.000
local terms energy: -60.322946
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -192.277512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.277512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.294741 (E_RNA)
where:
Base-Base interactions energy: -133.593
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.022
local terms energy: -58.679708
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -17.750
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: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -182.167959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.167959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196359 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.004
local terms energy: -57.795769
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -15.174
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: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -179.199933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.258429 (E_RNA)
where:
Base-Base interactions energy: -121.750
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.002
local terms energy: -57.506534
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -15.999
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: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -182.058292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.058292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.110352 (E_RNA)
where:
Base-Base interactions energy: -134.818
where: short stacking energy: -52.989
Base-Backbone interact. energy: -0.071
local terms energy: -47.221547
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -5.121
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -11.453
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: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -185.414437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.414437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.420026 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.040
local terms energy: -58.660402
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -14.568
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: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -166.926581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.926581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.063735 (E_RNA)
where:
Base-Base interactions energy: -113.901
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.001
local terms energy: -53.162341
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -12.711
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: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -169.821757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.821757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.023482 (E_RNA)
where:
Base-Base interactions energy: -119.388
where: short stacking energy: -48.805
Base-Backbone interact. energy: -0.231
local terms energy: -50.405128
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -12.724
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: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -170.127946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.127946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212772 (E_RNA)
where:
Base-Base interactions energy: -117.460
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.036
local terms energy: -52.716093
where:
bonds (distance) C4'-P energy: -6.873
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -14.923
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: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -194.998825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.998825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.998825 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.000
local terms energy: -59.843980
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -16.888
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: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -187.039224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.039224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.039224 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -57.388
Base-Backbone interact. energy: -0.443
local terms energy: -62.462260
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -14.368
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: 180
Temperature: 1.000000
Total energy: -191.586086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.586086 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.012
local terms energy: -62.130882
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -15.614
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: 180
Temperature: 1.050000
Total energy: -182.033900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.033900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.073577 (E_RNA)
where:
Base-Base interactions energy: -126.303
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.001
local terms energy: -55.769961
where:
bonds (distance) C4'-P energy: -8.367
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.378
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: 180
Temperature: 1.100000
Total energy: -175.962437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.962437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.013961 (E_RNA)
where:
Base-Base interactions energy: -122.936
where: short stacking energy: -56.092
Base-Backbone interact. energy: -0.017
local terms energy: -53.061348
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -15.534
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: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -183.358434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.358434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.397456 (E_RNA)
where:
Base-Base interactions energy: -123.460
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.003
local terms energy: -59.934405
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -14.729
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: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -174.802392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.802392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.033504 (E_RNA)
where:
Base-Base interactions energy: -118.082
where: short stacking energy: -54.411
Base-Backbone interact. energy: -0.012
local terms energy: -56.939639
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -12.169
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -171.944236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.944236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975818 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -48.797
Base-Backbone interact. energy: -0.145
local terms energy: -56.300500
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -12.394
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -166.840284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.840284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.865438 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -47.135
Base-Backbone interact. energy: -0.007
local terms energy: -46.339167
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -8.311
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -11.096
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -166.740703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.740703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.120738 (E_RNA)
where:
Base-Base interactions energy: -120.799
where: short stacking energy: -47.164
Base-Backbone interact. energy: -0.111
local terms energy: -46.210157
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -13.163
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: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -194.349428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.512687 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.013
local terms energy: -63.096307
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -16.434
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: 181
Temperature: 0.950000
Total energy: -190.986412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.986412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.154564 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -60.969
Base-Backbone interact. energy: -0.030
local terms energy: -62.019450
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -14.279
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: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -189.103023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.103023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.125355 (E_RNA)
where:
Base-Base interactions energy: -128.955
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.007
local terms energy: -60.163988
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -13.361
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -181.607276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.607276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.681867 (E_RNA)
where:
Base-Base interactions energy: -129.306
where: short stacking energy: -54.841
Base-Backbone interact. energy: 0.206
local terms energy: -52.581871
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -13.598
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: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -175.062016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.062016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143769 (E_RNA)
where:
Base-Base interactions energy: -119.077
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.143
local terms energy: -55.924198
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -14.855
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: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -172.538861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.538861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.779833 (E_RNA)
where:
Base-Base interactions energy: -119.955
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.067
local terms energy: -52.758427
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -10.549
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: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -175.075670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075670 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.043
local terms energy: -51.561485
where:
bonds (distance) C4'-P energy: -6.810
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -179.175281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.175281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242075 (E_RNA)
where:
Base-Base interactions energy: -126.403
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.217
local terms energy: -52.621612
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -15.878
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: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -175.850928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.850928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.954241 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.000
local terms energy: -56.862005
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -13.775
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: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -165.927016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.927016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.935608 (E_RNA)
where:
Base-Base interactions energy: -115.925
where: short stacking energy: -49.802
Base-Backbone interact. energy: -0.062
local terms energy: -49.948105
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -10.600
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: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -192.938835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.938835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.938835 (E_RNA)
where:
Base-Base interactions energy: -133.121
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.002
local terms energy: -59.815637
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -16.441
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: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -189.669770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.669770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.736818 (E_RNA)
where:
Base-Base interactions energy: -129.050
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.030
local terms energy: -60.656725
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -15.825
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: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -184.906543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.906543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.914682 (E_RNA)
where:
Base-Base interactions energy: -125.729
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.000
local terms energy: -59.185584
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -15.680
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: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -188.662158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.662158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.676071 (E_RNA)
where:
Base-Base interactions energy: -128.150
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.279
local terms energy: -60.246708
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -13.390
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -180.114357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.114357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.165069 (E_RNA)
where:
Base-Base interactions energy: -124.127
where: short stacking energy: -57.233
Base-Backbone interact. energy: -0.000
local terms energy: -56.037150
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -15.015
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: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -188.338600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.338600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.351093 (E_RNA)
where:
Base-Base interactions energy: -131.008
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.072
local terms energy: -57.270986
where:
bonds (distance) C4'-P energy: -4.902
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -16.324
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: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -176.732420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732420 (E_RNA)
where:
Base-Base interactions energy: -126.301
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.026
local terms energy: -50.406144
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -171.962028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.962028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.962028 (E_RNA)
where:
Base-Base interactions energy: -117.784
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.048
local terms energy: -54.129751
where:
bonds (distance) C4'-P energy: -7.747
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -171.730223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.730223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.730223 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.027
local terms energy: -52.076170
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -163.004983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.004983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.020313 (E_RNA)
where:
Base-Base interactions energy: -115.400
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.004
local terms energy: -47.616585
where:
bonds (distance) C4'-P energy: -5.962
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -11.160
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -193.909916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.909916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.977178 (E_RNA)
where:
Base-Base interactions energy: -133.519
where: short stacking energy: -62.100
Base-Backbone interact. energy: -0.028
local terms energy: -60.430766
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -15.623
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: 183
Temperature: 0.950000
Total energy: -191.745606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.745606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.834938 (E_RNA)
where:
Base-Base interactions energy: -130.059
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.006
local terms energy: -61.770353
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -17.629
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: 183
Temperature: 1.000000
Total energy: -187.919258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.919258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.919258 (E_RNA)
where:
Base-Base interactions energy: -123.996
where: short stacking energy: -51.248
Base-Backbone interact. energy: -0.050
local terms energy: -63.872593
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -14.908
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: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -182.386883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.386883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.429173 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.005
local terms energy: -53.943884
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -14.502
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: 183
Temperature: 1.100000
Total energy: -187.529075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.529075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570153 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -61.432
Base-Backbone interact. energy: -0.007
local terms energy: -58.458901
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -17.219
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: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -173.872368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.872368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.927213 (E_RNA)
where:
Base-Base interactions energy: -121.872
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.032
local terms energy: -52.023931
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -14.683
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: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -173.226434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.226434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.393004 (E_RNA)
where:
Base-Base interactions energy: -115.428
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.011
local terms energy: -57.954416
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -15.264
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: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -170.427512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.427512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.491008 (E_RNA)
where:
Base-Base interactions energy: -119.628
where: short stacking energy: -44.490
Base-Backbone interact. energy: -0.122
local terms energy: -50.741533
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -8.218
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: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -160.788029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.788029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.044140 (E_RNA)
where:
Base-Base interactions energy: -113.785
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.108
local terms energy: -47.150813
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: -13.307
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: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -163.920304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.920304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038981 (E_RNA)
where:
Base-Base interactions energy: -114.242
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.060
local terms energy: -49.737315
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -5.837
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: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -193.878631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.878631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927818 (E_RNA)
where:
Base-Base interactions energy: -132.573
where: short stacking energy: -62.979
Base-Backbone interact. energy: -0.008
local terms energy: -61.347231
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -14.927
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: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -190.369904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.369904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490426 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.001
local terms energy: -60.168860
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -13.961
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -188.603733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.603733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.785286 (E_RNA)
where:
Base-Base interactions energy: -128.279
where: short stacking energy: -59.190
Base-Backbone interact. energy: -1.866
local terms energy: -58.640944
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -12.364
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: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -182.325306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.325306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.378163 (E_RNA)
where:
Base-Base interactions energy: -122.582
where: short stacking energy: -55.133
Base-Backbone interact. energy: -0.167
local terms energy: -59.629310
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.111
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: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -184.458215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.458215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.917105 (E_RNA)
where:
Base-Base interactions energy: -123.519
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.075
local terms energy: -61.322866
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -13.801
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: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -185.807757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.807757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807757 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.011
local terms energy: -58.141569
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -13.208
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: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -164.137638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.137638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.147313 (E_RNA)
where:
Base-Base interactions energy: -118.175
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.093
local terms energy: -45.878989
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -9.536
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -181.208154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208154 (E_RNA)
where:
Base-Base interactions energy: -125.388
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.000
local terms energy: -55.820139
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -183.310409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.310409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.327037 (E_RNA)
where:
Base-Base interactions energy: -130.176
where: short stacking energy: -54.442
Base-Backbone interact. energy: 0.421
local terms energy: -53.572362
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.510
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: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -158.939557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.939557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.955864 (E_RNA)
where:
Base-Base interactions energy: -113.835
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.494
local terms energy: -44.626253
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -8.807
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: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -197.488415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.503812 (E_RNA)
where:
Base-Base interactions energy: -131.699
where: short stacking energy: -60.279
Base-Backbone interact. energy: -0.434
local terms energy: -65.370136
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -16.406
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: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -195.451987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.451987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.532357 (E_RNA)
where:
Base-Base interactions energy: -132.966
where: short stacking energy: -61.978
Base-Backbone interact. energy: -0.002
local terms energy: -62.564346
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -16.895
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: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -186.328924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.345284 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.023
local terms energy: -58.550846
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -14.195
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: 185
Temperature: 1.050000
Total energy: -183.830480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.830480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131028 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -58.976
Base-Backbone interact. energy: -0.002
local terms energy: -59.527186
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -14.729
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -191.439509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.439509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.449965 (E_RNA)
where:
Base-Base interactions energy: -132.406
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.122
local terms energy: -58.921908
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.402
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: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -183.808110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.808110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.994175 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.095
local terms energy: -59.817450
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -15.236
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: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -172.141151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.141151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.253368 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.847
local terms energy: -49.955215
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -11.685
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -173.804912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.805123 (E_RNA)
where:
Base-Base interactions energy: -123.009
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.289
local terms energy: -50.507488
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -166.357679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.357679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432796 (E_RNA)
where:
Base-Base interactions energy: -117.651
where: short stacking energy: -50.222
Base-Backbone interact. energy: 0.629
local terms energy: -49.410699
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -7.909
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -174.599615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.620521 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.001
local terms energy: -53.672711
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -13.205
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: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -194.263959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.263959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.298467 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.012
local terms energy: -63.714153
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -17.205
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: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -192.327747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.327747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.426410 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.009
local terms energy: -62.621525
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -16.535
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: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -188.999757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.999757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.032687 (E_RNA)
where:
Base-Base interactions energy: -132.069
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.031
local terms energy: -56.932308
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -12.932
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -182.608525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.608525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.611461 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.332
local terms energy: -52.984324
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -8.750
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -13.912
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: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -190.108062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.108062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289280 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -58.371
Base-Backbone interact. energy: -0.006
local terms energy: -62.203484
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -17.128
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: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -176.902227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.980516 (E_RNA)
where:
Base-Base interactions energy: -117.635
where: short stacking energy: -55.229
Base-Backbone interact. energy: -0.005
local terms energy: -59.340917
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -15.667
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: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -172.202422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.202422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.408322 (E_RNA)
where:
Base-Base interactions energy: -118.872
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.003
local terms energy: -53.533252
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -15.628
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: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -163.941005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.941005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.041601 (E_RNA)
where:
Base-Base interactions energy: -115.419
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.005
local terms energy: -48.617358
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -10.854
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: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -174.159964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189388 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.002
local terms energy: -48.426516
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -12.118
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -162.833209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.833209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.899837 (E_RNA)
where:
Base-Base interactions energy: -111.268
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.107
local terms energy: -51.524863
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -12.250
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: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -198.754252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.834039 (E_RNA)
where:
Base-Base interactions energy: -135.520
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.000
local terms energy: -63.313108
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -16.171
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: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -185.845179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.859609 (E_RNA)
where:
Base-Base interactions energy: -130.957
where: short stacking energy: -60.959
Base-Backbone interact. energy: 2.720
local terms energy: -57.622702
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -13.553
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -183.221270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.221270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.221270 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -54.401
Base-Backbone interact. energy: 0.318
local terms energy: -63.083284
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -16.220
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -184.461205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.461205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.481434 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -58.341
Base-Backbone interact. energy: -0.081
local terms energy: -59.007173
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -169.502060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.577302 (E_RNA)
where:
Base-Base interactions energy: -116.962
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.099
local terms energy: -52.516093
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -9.786
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: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -173.447009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.447009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.479251 (E_RNA)
where:
Base-Base interactions energy: -118.579
where: short stacking energy: -52.807
Base-Backbone interact. energy: -0.806
local terms energy: -54.094328
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -13.436
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: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -173.642105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.642105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.770880 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.018
local terms energy: -52.814381
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -12.854
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: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -179.026358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.026358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050598 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.002
local terms energy: -58.134802
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -16.719
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: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -170.459593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.459593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.581438 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -51.693
Base-Backbone interact. energy: 0.071
local terms energy: -54.271935
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -12.291
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: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -176.218365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.218365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.370477 (E_RNA)
where:
Base-Base interactions energy: -120.077
where: short stacking energy: -53.912
Base-Backbone interact. energy: -0.054
local terms energy: -56.238620
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.531
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: 188
Temperature: 0.900000
Total energy: -196.449186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.449186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.507315 (E_RNA)
where:
Base-Base interactions energy: -132.536
where: short stacking energy: -60.048
Base-Backbone interact. energy: -0.023
local terms energy: -63.948053
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -14.285
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: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -192.486107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.486107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487684 (E_RNA)
where:
Base-Base interactions energy: -133.627
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.009
local terms energy: -58.851444
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -181.788049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.804410 (E_RNA)
where:
Base-Base interactions energy: -128.971
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.091
local terms energy: -52.741965
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -10.346
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: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -181.708308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.753102 (E_RNA)
where:
Base-Base interactions energy: -122.834
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.003
local terms energy: -58.915760
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -14.947
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: 188
Temperature: 1.100000
Total energy: -178.581772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.581772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582755 (E_RNA)
where:
Base-Base interactions energy: -127.743
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.009
local terms energy: -50.830701
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -10.174
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: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -181.020622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.020622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029931 (E_RNA)
where:
Base-Base interactions energy: -125.898
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.164
local terms energy: -54.967719
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -15.982
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: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -170.620397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.620397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.760441 (E_RNA)
where:
Base-Base interactions energy: -115.706
where: short stacking energy: -45.121
Base-Backbone interact. energy: -0.122
local terms energy: -54.932784
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -13.733
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: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -169.070185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.070185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.085171 (E_RNA)
where:
Base-Base interactions energy: -114.822
where: short stacking energy: -48.698
Base-Backbone interact. energy: -0.120
local terms energy: -54.143422
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -13.582
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: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -170.282680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.282680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.386139 (E_RNA)
where:
Base-Base interactions energy: -116.258
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.262
local terms energy: -53.866335
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -14.486
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -162.894630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.894630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.933659 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.016
local terms energy: -45.490442
where:
bonds (distance) C4'-P energy: -3.506
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -12.339
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: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -197.602394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.602394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.632867 (E_RNA)
where:
Base-Base interactions energy: -134.514
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.279
local terms energy: -62.840061
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -15.588
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -191.594735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.604898 (E_RNA)
where:
Base-Base interactions energy: -129.847
where: short stacking energy: -56.816
Base-Backbone interact. energy: -0.006
local terms energy: -61.751429
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -16.296
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -186.352671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.352671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.370948 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.097
local terms energy: -49.217291
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -10.395
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: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -186.679625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.679625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.679625 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.915
local terms energy: -55.199288
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -8.781
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -13.975
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: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -180.224546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.235887 (E_RNA)
where:
Base-Base interactions energy: -125.102
where: short stacking energy: -56.842
Base-Backbone interact. energy: 0.802
local terms energy: -55.935813
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -13.567
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: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -179.196737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.196737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.263615 (E_RNA)
where:
Base-Base interactions energy: -125.664
where: short stacking energy: -50.276
Base-Backbone interact. energy: -0.497
local terms energy: -53.102363
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -12.338
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -178.291586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.291586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.350084 (E_RNA)
where:
Base-Base interactions energy: -129.335
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.003
local terms energy: -49.011688
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -5.965
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -13.879
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: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -172.401912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.401912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.401912 (E_RNA)
where:
Base-Base interactions energy: -116.904
where: short stacking energy: -49.355
Base-Backbone interact. energy: -0.122
local terms energy: -55.375242
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -162.838820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.838820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.979851 (E_RNA)
where:
Base-Base interactions energy: -111.711
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.007
local terms energy: -51.261489
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -8.974
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -163.655343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.655343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.791328 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.057
local terms energy: -52.746438
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -9.572
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: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -190.652598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.652598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659979 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.003
local terms energy: -60.388514
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -12.157
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: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -192.387660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.387660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.387660 (E_RNA)
where:
Base-Base interactions energy: -129.165
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.027
local terms energy: -63.196558
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -15.262
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: 190
Temperature: 1.000000
Total energy: -185.809726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.809726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.809726 (E_RNA)
where:
Base-Base interactions energy: -127.297
where: short stacking energy: -52.446
Base-Backbone interact. energy: -0.413
local terms energy: -58.099850
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.362
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: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -187.052997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.052997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.095407 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -45.027
Base-Backbone interact. energy: -0.402
local terms energy: -63.744194
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -13.340
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: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -181.045362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.045362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.045362 (E_RNA)
where:
Base-Base interactions energy: -122.572
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.451
local terms energy: -58.022857
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -187.314087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.314087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.434067 (E_RNA)
where:
Base-Base interactions energy: -127.458
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.027
local terms energy: -59.948931
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.396
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: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -178.018008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.018008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.025901 (E_RNA)
where:
Base-Base interactions energy: -122.789
where: short stacking energy: -52.954
Base-Backbone interact. energy: -0.016
local terms energy: -55.220810
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -15.691
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: 8, replica: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -170.711695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.711695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.735634 (E_RNA)
where:
Base-Base interactions energy: -121.225
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.243
local terms energy: -49.268075
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -9.660
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: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -170.655228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.655228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.887878 (E_RNA)
where:
Base-Base interactions energy: -116.929
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.009
local terms energy: -53.950255
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -15.387
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: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -166.423189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.423189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.548047 (E_RNA)
where:
Base-Base interactions energy: -112.350
where: short stacking energy: -49.823
Base-Backbone interact. energy: -0.001
local terms energy: -54.196194
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -11.377
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: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -191.546165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.546165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.684852 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.000
local terms energy: -62.238264
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -13.657
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -195.052885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.052885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.056282 (E_RNA)
where:
Base-Base interactions energy: -139.098
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.651
local terms energy: -55.307595
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -13.181
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: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -193.794383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794383 (E_RNA)
where:
Base-Base interactions energy: -132.614
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.012
local terms energy: -61.169022
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -16.674
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: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -180.903273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.903273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.098612 (E_RNA)
where:
Base-Base interactions energy: -125.435
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.010
local terms energy: -55.653302
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -12.307
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: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -183.231738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.231738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.604843 (E_RNA)
where:
Base-Base interactions energy: -127.547
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.151
local terms energy: -55.907360
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -11.244
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: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -178.231728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.231728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.317755 (E_RNA)
where:
Base-Base interactions energy: -120.605
where: short stacking energy: -51.410
Base-Backbone interact. energy: -0.034
local terms energy: -57.678794
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -13.334
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: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -179.462413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.462413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.606272 (E_RNA)
where:
Base-Base interactions energy: -122.745
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.001
local terms energy: -56.860392
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -13.822
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: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -172.682568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.682568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.696947 (E_RNA)
where:
Base-Base interactions energy: -120.513
where: short stacking energy: -51.919
Base-Backbone interact. energy: -0.001
local terms energy: -52.182602
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -14.905
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: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -162.475484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.475484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.485979 (E_RNA)
where:
Base-Base interactions energy: -109.515
where: short stacking energy: -40.505
Base-Backbone interact. energy: -0.024
local terms energy: -52.946439
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -10.906
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -166.790472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.790472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.877763 (E_RNA)
where:
Base-Base interactions energy: -119.893
where: short stacking energy: -52.922
Base-Backbone interact. energy: -0.011
local terms energy: -46.973445
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -0.192
tors. eta vs tors. theta energy: -15.183
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: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -197.189228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.189228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.214917 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.065
local terms energy: -62.920770
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -13.518
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -191.626478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691204 (E_RNA)
where:
Base-Base interactions energy: -131.984
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.002
local terms energy: -59.705614
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -17.207
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: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -186.842091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.842091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.852545 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.532
local terms energy: -55.667465
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -14.472
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: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -178.649682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.649682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.649920 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.069
local terms energy: -55.399236
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -14.847
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: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -175.823002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.823002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.870114 (E_RNA)
where:
Base-Base interactions energy: -120.032
where: short stacking energy: -52.162
Base-Backbone interact. energy: -0.067
local terms energy: -55.771590
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -15.038
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: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -174.851001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.851001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.900459 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.003
local terms energy: -58.172421
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -15.745
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: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -166.225387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.225387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.225387 (E_RNA)
where:
Base-Base interactions energy: -112.824
where: short stacking energy: -45.099
Base-Backbone interact. energy: -0.029
local terms energy: -53.373112
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -169.857049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.857049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016295 (E_RNA)
where:
Base-Base interactions energy: -114.014
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.726
local terms energy: -55.275937
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -7.400
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -14.838
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -182.323238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.323238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.348538 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.182
local terms energy: -57.737164
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -16.661
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: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -166.942821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.942821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.155486 (E_RNA)
where:
Base-Base interactions energy: -121.751
where: short stacking energy: -45.614
Base-Backbone interact. energy: -0.639
local terms energy: -44.764904
where:
bonds (distance) C4'-P energy: -6.950
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -9.337
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: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -196.149890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.149890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.166112 (E_RNA)
where:
Base-Base interactions energy: -137.786
where: short stacking energy: -55.721
Base-Backbone interact. energy: -0.009
local terms energy: -58.370879
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -13.631
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: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -181.890321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.890321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.891043 (E_RNA)
where:
Base-Base interactions energy: -123.518
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.016
local terms energy: -58.357044
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -13.810
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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -187.777962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.777962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.851422 (E_RNA)
where:
Base-Base interactions energy: -131.721
where: short stacking energy: -56.584
Base-Backbone interact. energy: -0.016
local terms energy: -56.114558
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -15.557
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: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -184.664848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.664848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.671916 (E_RNA)
where:
Base-Base interactions energy: -126.307
where: short stacking energy: -60.585
Base-Backbone interact. energy: -0.041
local terms energy: -58.323208
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -12.968
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: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -182.589522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.589522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.640302 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.280
local terms energy: -56.175857
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.585
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: 193
Temperature: 1.150000
Total energy: -166.534514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.534514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.544490 (E_RNA)
where:
Base-Base interactions energy: -113.286
where: short stacking energy: -44.222
Base-Backbone interact. energy: -0.018
local terms energy: -53.239778
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -10.116
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: 193
Temperature: 1.200000
Total energy: -176.934871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.020785 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -54.557
Base-Backbone interact. energy: -0.006
local terms energy: -54.340692
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -11.550
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -165.658298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.658298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.763389 (E_RNA)
where:
Base-Base interactions energy: -111.981
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.331
local terms energy: -53.451931
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -14.462
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -164.050203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.050203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082019 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -52.700
Base-Backbone interact. energy: -0.155
local terms energy: -46.366674
where:
bonds (distance) C4'-P energy: -5.461
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -10.877
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: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -160.458777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.458777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.458777 (E_RNA)
where:
Base-Base interactions energy: -107.114
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.232
local terms energy: -53.112470
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -184.994590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.994590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.003446 (E_RNA)
where:
Base-Base interactions energy: -126.141
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.095
local terms energy: -58.768306
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -13.321
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -188.783675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.783675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.787250 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.790
local terms energy: -56.748689
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -13.913
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -188.581871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.581871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.581871 (E_RNA)
where:
Base-Base interactions energy: -123.470
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.293
local terms energy: -64.818988
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -15.169
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -187.637727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.637727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.746347 (E_RNA)
where:
Base-Base interactions energy: -128.844
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.005
local terms energy: -58.897019
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -17.049
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: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -185.766405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.766405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.768701 (E_RNA)
where:
Base-Base interactions energy: -125.586
where: short stacking energy: -60.000
Base-Backbone interact. energy: -0.001
local terms energy: -60.181472
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -179.407793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.407793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.442760 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.072
local terms energy: -52.743798
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -16.263
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: 194
Temperature: 1.200000
Total energy: -176.275047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.275047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.572995 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.000
local terms energy: -57.099000
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -14.688
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -168.190111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.190111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.305958 (E_RNA)
where:
Base-Base interactions energy: -116.071
where: short stacking energy: -54.044
Base-Backbone interact. energy: -0.062
local terms energy: -52.172442
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -12.800
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: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -174.901843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.901843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.901843 (E_RNA)
where:
Base-Base interactions energy: -122.066
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.068
local terms energy: -52.767864
where:
bonds (distance) C4'-P energy: -6.744
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -157.988129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.988129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.180568 (E_RNA)
where:
Base-Base interactions energy: -106.759
where: short stacking energy: -44.505
Base-Backbone interact. energy: -0.034
local terms energy: -51.388044
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -10.547
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: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -189.027709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.027709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.027709 (E_RNA)
where:
Base-Base interactions energy: -135.268
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.122
local terms energy: -53.637165
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -14.126
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -192.293797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.293797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.293797 (E_RNA)
where:
Base-Base interactions energy: -128.299
where: short stacking energy: -55.487
Base-Backbone interact. energy: -0.024
local terms energy: -63.970768
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.398
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: 195
Temperature: 1.000000
Total energy: -192.843730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.911875 (E_RNA)
where:
Base-Base interactions energy: -135.145
where: short stacking energy: -56.089
Base-Backbone interact. energy: -0.101
local terms energy: -57.665592
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -13.608
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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -177.042913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.042913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.071359 (E_RNA)
where:
Base-Base interactions energy: -127.774
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.003
local terms energy: -49.294462
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -4.055
tors. eta vs tors. theta energy: -13.000
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -173.703015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.703015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.742875 (E_RNA)
where:
Base-Base interactions energy: -122.879
where: short stacking energy: -51.140
Base-Backbone interact. energy: -0.109
local terms energy: -50.754718
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -11.603
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -192.481696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.481696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.483946 (E_RNA)
where:
Base-Base interactions energy: -131.500
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.002
local terms energy: -60.981369
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -177.532960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.532960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532960 (E_RNA)
where:
Base-Base interactions energy: -125.927
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.000
local terms energy: -51.605638
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -169.314395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.314395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.472118 (E_RNA)
where:
Base-Base interactions energy: -114.004
where: short stacking energy: -51.108
Base-Backbone interact. energy: -0.000
local terms energy: -55.468013
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -13.183
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: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -164.994207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.994207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.086068 (E_RNA)
where:
Base-Base interactions energy: -115.673
where: short stacking energy: -44.396
Base-Backbone interact. energy: -0.105
local terms energy: -49.308552
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -10.886
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: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -166.263218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.263218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263218 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -46.871
Base-Backbone interact. energy: -0.085
local terms energy: -56.428804
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -187.962725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.962725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.085284 (E_RNA)
where:
Base-Base interactions energy: -124.812
where: short stacking energy: -58.102
Base-Backbone interact. energy: -0.101
local terms energy: -63.171785
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -16.360
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -193.267888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.267888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.352783 (E_RNA)
where:
Base-Base interactions energy: -127.593
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.001
local terms energy: -65.759362
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -16.485
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -188.501678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.501678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.516668 (E_RNA)
where:
Base-Base interactions energy: -129.053
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.027
local terms energy: -59.436470
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -14.680
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: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -186.677637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.677637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.677637 (E_RNA)
where:
Base-Base interactions energy: -130.972
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.185
local terms energy: -55.521010
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -8.436
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -12.189
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -185.805563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.805563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.805563 (E_RNA)
where:
Base-Base interactions energy: -130.453
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.048
local terms energy: -55.304093
where:
bonds (distance) C4'-P energy: -6.220
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -174.552433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.552433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.638200 (E_RNA)
where:
Base-Base interactions energy: -117.381
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.505
local terms energy: -56.752219
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -12.518
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: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -172.201520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.201520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.274078 (E_RNA)
where:
Base-Base interactions energy: -120.959
where: short stacking energy: -47.817
Base-Backbone interact. energy: -0.351
local terms energy: -50.963297
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -10.166
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: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -168.995029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.995029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.224389 (E_RNA)
where:
Base-Base interactions energy: -114.534
where: short stacking energy: -52.944
Base-Backbone interact. energy: -0.615
local terms energy: -54.075233
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -13.001
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -169.087479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.087479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142598 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.003
local terms energy: -48.814341
where:
bonds (distance) C4'-P energy: -4.521
bonds (distance) P-C4' energy: -9.103
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -12.675
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: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -157.464681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.464681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.484099 (E_RNA)
where:
Base-Base interactions energy: -117.486
where: short stacking energy: -43.474
Base-Backbone interact. energy: -0.322
local terms energy: -39.676554
where:
bonds (distance) C4'-P energy: -5.792
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -10.028
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: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -196.790752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.790752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.986711 (E_RNA)
where:
Base-Base interactions energy: -137.036
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.043
local terms energy: -59.907486
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -12.855
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -192.402502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405986 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -58.001
Base-Backbone interact. energy: -0.024
local terms energy: -60.402673
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -14.710
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: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -187.583403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.583403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.583403 (E_RNA)
where:
Base-Base interactions energy: -126.042
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.001
local terms energy: -61.539919
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -12.930
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: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -188.985466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.985466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.026181 (E_RNA)
where:
Base-Base interactions energy: -131.081
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.013
local terms energy: -57.932508
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -15.201
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -184.830201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.830201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.830201 (E_RNA)
where:
Base-Base interactions energy: -129.631
where: short stacking energy: -48.844
Base-Backbone interact. energy: -0.303
local terms energy: -54.896129
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -185.448292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.448292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.461681 (E_RNA)
where:
Base-Base interactions energy: -128.477
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.147
local terms energy: -56.837362
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -11.663
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: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -183.240021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.240021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244452 (E_RNA)
where:
Base-Base interactions energy: -124.443
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.050
local terms energy: -58.751266
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -14.700
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: 8, replica: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -179.032646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.032646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.059158 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -51.957
Base-Backbone interact. energy: -0.001
local terms energy: -54.223687
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -14.180
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: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -163.297124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.297124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.315028 (E_RNA)
where:
Base-Base interactions energy: -113.335
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.060
local terms energy: -49.920148
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -8.238
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -12.043
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -171.031783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.031783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.065682 (E_RNA)
where:
Base-Base interactions energy: -118.638
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.452
local terms energy: -51.975426
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -11.473
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: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -198.190796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.190796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.200344 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.015
local terms energy: -62.059034
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -15.690
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -189.249541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.249541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.387846 (E_RNA)
where:
Base-Base interactions energy: -128.490
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.002
local terms energy: -60.896663
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -13.773
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: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -186.322752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.410490 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.004
local terms energy: -58.719102
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -12.698
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: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -181.825598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.909137 (E_RNA)
where:
Base-Base interactions energy: -126.556
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.000
local terms energy: -55.352827
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -12.389
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: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -180.643812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.687990 (E_RNA)
where:
Base-Base interactions energy: -122.759
where: short stacking energy: -47.256
Base-Backbone interact. energy: -0.776
local terms energy: -57.153476
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -11.996
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: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -186.656575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.656575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.656575 (E_RNA)
where:
Base-Base interactions energy: -131.747
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.471
local terms energy: -54.438740
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -13.189
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: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -177.642844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.642844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.642844 (E_RNA)
where:
Base-Base interactions energy: -124.924
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.001
local terms energy: -52.717893
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -174.004203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.004203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.330682 (E_RNA)
where:
Base-Base interactions energy: -119.644
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.011
local terms energy: -54.674945
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -15.322
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -163.860144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.860144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.927609 (E_RNA)
where:
Base-Base interactions energy: -110.183
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.487
local terms energy: -53.258068
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -12.080
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: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -164.218520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.218520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.249117 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.067
local terms energy: -49.065548
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -12.978
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: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -192.269387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.283826 (E_RNA)
where:
Base-Base interactions energy: -135.979
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.001
local terms energy: -56.304239
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -14.266
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: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -190.650217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.650217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.761594 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.001
local terms energy: -58.814162
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -16.192
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: 199
Temperature: 1.000000
Total energy: -184.182089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.182089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.182476 (E_RNA)
where:
Base-Base interactions energy: -130.259
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.238
local terms energy: -53.685104
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.172
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: 199
Temperature: 1.050000
Total energy: -186.438403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.438403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.438403 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.001
local terms energy: -61.780000
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -12.689
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: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -182.273833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.273833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.339645 (E_RNA)
where:
Base-Base interactions energy: -125.471
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.012
local terms energy: -56.856240
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -16.579
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: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -177.504167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.504167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.504167 (E_RNA)
where:
Base-Base interactions energy: -117.269
where: short stacking energy: -50.296
Base-Backbone interact. energy: -0.220
local terms energy: -60.014924
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -12.307
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: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -178.817558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.817558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.023986 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -53.345
Base-Backbone interact. energy: -0.000
local terms energy: -53.936977
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -12.207
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: 199
Temperature: 1.250000
Total energy: -163.192580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.192580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262775 (E_RNA)
where:
Base-Base interactions energy: -116.267
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.004
local terms energy: -46.992195
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -7.847
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -10.622
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: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -159.528823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.528823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.636046 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.592
local terms energy: -38.537290
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -6.709
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -11.880
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: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -162.315186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.315186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.315186 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -43.397
Base-Backbone interact. energy: -0.014
local terms energy: -49.496508
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -195.839100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.839100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.886058 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -65.306
Base-Backbone interact. energy: -0.014
local terms energy: -62.338722
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -16.964
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: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -192.722585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.722585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783404 (E_RNA)
where:
Base-Base interactions energy: -133.245
where: short stacking energy: -49.844
Base-Backbone interact. energy: -2.175
local terms energy: -57.363169
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -11.411
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -180.789188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.789188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.822574 (E_RNA)
where:
Base-Base interactions energy: -126.708
where: short stacking energy: -47.826
Base-Backbone interact. energy: -0.370
local terms energy: -53.744010
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -11.113
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: 200
Temperature: 1.050000
Total energy: -181.510135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.510135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.510135 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.494
local terms energy: -57.503295
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -12.228
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -185.179170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.179170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.219995 (E_RNA)
where:
Base-Base interactions energy: -131.031
where: short stacking energy: -47.702
Base-Backbone interact. energy: -0.014
local terms energy: -54.174771
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -9.542
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -181.663865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.663865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.851650 (E_RNA)
where:
Base-Base interactions energy: -120.332
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.000
local terms energy: -61.519769
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -14.702
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: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -173.680876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.680876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.954635 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -53.956
Base-Backbone interact. energy: -0.022
local terms energy: -56.810438
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -14.565
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: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -172.236360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.236360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.260332 (E_RNA)
where:
Base-Base interactions energy: -115.649
where: short stacking energy: -52.384
Base-Backbone interact. energy: -0.013
local terms energy: -56.598360
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -11.042
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: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -172.158739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.158739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.230775 (E_RNA)
where:
Base-Base interactions energy: -121.136
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.092
local terms energy: -51.002195
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -8.158
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -15.399
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: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -159.787366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.787366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.923780 (E_RNA)
where:
Base-Base interactions energy: -114.427
where: short stacking energy: -51.326
Base-Backbone interact. energy: 0.542
local terms energy: -46.038836
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -11.973
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: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -199.425363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.425363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.461101 (E_RNA)
where:
Base-Base interactions energy: -132.650
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.008
local terms energy: -66.802673
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -16.674
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: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -193.370731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.370731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.425709 (E_RNA)
where:
Base-Base interactions energy: -130.520
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.011
local terms energy: -62.894230
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -17.714
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: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -183.204014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.204014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.407846 (E_RNA)
where:
Base-Base interactions energy: -124.842
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.092
local terms energy: -58.473496
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -17.561
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: 201
Temperature: 1.050000
Total energy: -186.203269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.203269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215828 (E_RNA)
where:
Base-Base interactions energy: -124.670
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.050
local terms energy: -61.495289
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -14.387
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -184.166463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.166463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.283790 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.007
local terms energy: -48.785181
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -10.275
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -184.015301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.015301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.022292 (E_RNA)
where:
Base-Base interactions energy: -128.589
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.046
local terms energy: -55.387170
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -16.498
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: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -171.157572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.157572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.231713 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -52.996
Base-Backbone interact. energy: -0.002
local terms energy: -53.081691
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -17.982
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: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -168.941266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.941266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.025187 (E_RNA)
where:
Base-Base interactions energy: -113.182
where: short stacking energy: -46.806
Base-Backbone interact. energy: 0.073
local terms energy: -55.916660
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -13.058
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: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -160.639828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.639828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.843182 (E_RNA)
where:
Base-Base interactions energy: -107.572
where: short stacking energy: -38.046
Base-Backbone interact. energy: -0.397
local terms energy: -52.874582
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -9.794
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: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -158.582803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582803 (E_RNA)
where:
Base-Base interactions energy: -111.223
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.074
local terms energy: -47.285077
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -8.581
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -192.697152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.700838 (E_RNA)
where:
Base-Base interactions energy: -129.387
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.002
local terms energy: -63.311423
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -14.114
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: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -190.539662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.539662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.541655 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.000
local terms energy: -61.933809
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -188.730507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.730507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.740883 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.022
local terms energy: -58.475260
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -16.457
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: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -185.199252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.199252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.199252 (E_RNA)
where:
Base-Base interactions energy: -128.004
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.042
local terms energy: -57.152342
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -17.194
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: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -182.523410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.523410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542506 (E_RNA)
where:
Base-Base interactions energy: -129.377
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.075
local terms energy: -53.090453
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.080
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: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -179.529257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.529257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.564377 (E_RNA)
where:
Base-Base interactions energy: -127.844
where: short stacking energy: -57.212
Base-Backbone interact. energy: -0.261
local terms energy: -51.458982
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -15.190
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: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -173.626139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.626139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752855 (E_RNA)
where:
Base-Base interactions energy: -125.000
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.132
local terms energy: -48.621533
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -13.652
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: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -171.196746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.196746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.222274 (E_RNA)
where:
Base-Base interactions energy: -117.096
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.001
local terms energy: -54.125927
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -8.603
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -15.622
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: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -159.185354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.185354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.228207 (E_RNA)
where:
Base-Base interactions energy: -108.864
where: short stacking energy: -41.583
Base-Backbone interact. energy: -0.150
local terms energy: -50.214009
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -9.722
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: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -159.192418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.192418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.242251 (E_RNA)
where:
Base-Base interactions energy: -112.275
where: short stacking energy: -41.799
Base-Backbone interact. energy: -0.158
local terms energy: -46.808859
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -6.018
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: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -189.936766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.936766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.936766 (E_RNA)
where:
Base-Base interactions energy: -133.345
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.019
local terms energy: -56.572852
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -13.501
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: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -190.247417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.264655 (E_RNA)
where:
Base-Base interactions energy: -133.742
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.409
local terms energy: -56.113429
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -8.034
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -14.175
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: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -185.447184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.447184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.447184 (E_RNA)
where:
Base-Base interactions energy: -126.916
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.001
local terms energy: -58.529463
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -15.331
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: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -186.686745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.686745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.729856 (E_RNA)
where:
Base-Base interactions energy: -130.564
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.024
local terms energy: -56.141225
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -16.864
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: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -180.631395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.641318 (E_RNA)
where:
Base-Base interactions energy: -129.254
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.000
local terms energy: -51.387005
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -14.922
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: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -180.989755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.989755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.276797 (E_RNA)
where:
Base-Base interactions energy: -125.521
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.321
local terms energy: -55.435182
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -13.765
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: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -174.392669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.392669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.609233 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.002
local terms energy: -53.516698
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -11.291
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: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -175.038773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.038773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.167232 (E_RNA)
where:
Base-Base interactions energy: -118.902
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.247
local terms energy: -56.018522
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -7.588
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -16.446
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: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -160.397038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.605444 (E_RNA)
where:
Base-Base interactions energy: -112.544
where: short stacking energy: -52.815
Base-Backbone interact. energy: -0.003
local terms energy: -48.058422
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -7.342
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -12.218
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: 203
Temperature: 1.350000
Total energy: -159.376777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.376777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.465711 (E_RNA)
where:
Base-Base interactions energy: -111.791
where: short stacking energy: -47.058
Base-Backbone interact. energy: -0.454
local terms energy: -47.220281
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -6.773
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -8.946
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: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -196.477569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.477569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.477569 (E_RNA)
where:
Base-Base interactions energy: -134.305
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.159
local terms energy: -62.013546
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -14.294
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: 204
Temperature: 0.950000
Total energy: -185.384267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.384267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.398119 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.021
local terms energy: -61.299579
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.108
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: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -186.256047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.256047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.292169 (E_RNA)
where:
Base-Base interactions energy: -127.765
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.051
local terms energy: -58.476822
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -16.217
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: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -179.848766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.848766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.861019 (E_RNA)
where:
Base-Base interactions energy: -125.109
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.005
local terms energy: -54.746722
where:
bonds (distance) C4'-P energy: -5.092
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -15.367
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: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -181.531502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.531502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.555881 (E_RNA)
where:
Base-Base interactions energy: -128.513
where: short stacking energy: -55.846
Base-Backbone interact. energy: 0.186
local terms energy: -53.229457
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -13.515
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: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -185.354953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.354953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.358142 (E_RNA)
where:
Base-Base interactions energy: -130.452
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.003
local terms energy: -54.903190
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -14.509
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -171.267618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.267618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.348236 (E_RNA)
where:
Base-Base interactions energy: -113.830
where: short stacking energy: -49.748
Base-Backbone interact. energy: 0.651
local terms energy: -58.169425
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -13.094
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: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -167.595457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.595457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.671801 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.190
local terms energy: -50.514351
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -9.354
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: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -166.056753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.056753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.139219 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.520
local terms energy: -49.782569
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -7.068
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -14.135
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: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -155.298911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.298911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.408609 (E_RNA)
where:
Base-Base interactions energy: -109.390
where: short stacking energy: -48.615
Base-Backbone interact. energy: -0.022
local terms energy: -45.996498
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -10.980
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: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -195.574744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.574744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.574744 (E_RNA)
where:
Base-Base interactions energy: -132.749
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.909
local terms energy: -61.916193
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -14.824
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: 205
Temperature: 0.950000
Total energy: -190.947960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.947960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.964820 (E_RNA)
where:
Base-Base interactions energy: -126.680
where: short stacking energy: -56.624
Base-Backbone interact. energy: -0.001
local terms energy: -64.283437
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -15.658
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -187.614694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.614694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.642201 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.016
local terms energy: -58.918829
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -16.461
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -185.925571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.925571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.939378 (E_RNA)
where:
Base-Base interactions energy: -123.807
where: short stacking energy: -55.432
Base-Backbone interact. energy: -0.001
local terms energy: -62.130875
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -14.999
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: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -177.137913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.137913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.466392 (E_RNA)
where:
Base-Base interactions energy: -123.516
where: short stacking energy: -53.235
Base-Backbone interact. energy: -0.189
local terms energy: -53.761269
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -13.453
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -172.069143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.069143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.069143 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -43.569
Base-Backbone interact. energy: -0.840
local terms energy: -52.608114
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -9.962
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: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -179.769312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.002036 (E_RNA)
where:
Base-Base interactions energy: -124.166
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.006
local terms energy: -55.829698
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -15.273
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: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -172.585622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.585622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.616206 (E_RNA)
where:
Base-Base interactions energy: -124.808
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.002
local terms energy: -47.805952
where:
bonds (distance) C4'-P energy: -6.391
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -13.239
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -177.446289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.446289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.534526 (E_RNA)
where:
Base-Base interactions energy: -126.915
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.000
local terms energy: -50.619247
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -14.043
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: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -168.652091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.652091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.685341 (E_RNA)
where:
Base-Base interactions energy: -119.398
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.204
local terms energy: -49.083186
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -9.622
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -192.786218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.786218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.832994 (E_RNA)
where:
Base-Base interactions energy: -131.255
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.002
local terms energy: -61.575821
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -13.491
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: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -186.100244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.100244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242335 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.001
local terms energy: -58.050551
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -15.067
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: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -185.759535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.759535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.786484 (E_RNA)
where:
Base-Base interactions energy: -131.260
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.004
local terms energy: -54.522574
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -8.574
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -17.777
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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -189.339457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.339457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343440 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.000
local terms energy: -60.986284
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -16.907
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: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -187.315056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.352919 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.001
local terms energy: -52.066593
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -12.843
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -180.454540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.454540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.471983 (E_RNA)
where:
Base-Base interactions energy: -120.927
where: short stacking energy: -52.988
Base-Backbone interact. energy: -0.565
local terms energy: -58.979783
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -14.436
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: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -173.993767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.993767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.215259 (E_RNA)
where:
Base-Base interactions energy: -114.590
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.001
local terms energy: -59.624715
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -14.594
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: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -178.616516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.616516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.643981 (E_RNA)
where:
Base-Base interactions energy: -124.935
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.002
local terms energy: -53.706380
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -5.349
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.167
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: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -172.693449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.693449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.943794 (E_RNA)
where:
Base-Base interactions energy: -120.222
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.003
local terms energy: -52.718952
where:
bonds (distance) C4'-P energy: -6.152
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -16.929
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: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -169.929193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.929193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.929193 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.001
local terms energy: -51.798101
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -193.100460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.100460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.100460 (E_RNA)
where:
Base-Base interactions energy: -129.534
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.000
local terms energy: -63.566067
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -15.011
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -193.570490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.570490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.598556 (E_RNA)
where:
Base-Base interactions energy: -131.886
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.006
local terms energy: -61.706385
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -16.935
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: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -181.019294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.019294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134816 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -55.686
Base-Backbone interact. energy: 0.668
local terms energy: -56.836632
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -14.963
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: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -185.240282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.240282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.264782 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -55.007
Base-Backbone interact. energy: -1.898
local terms energy: -60.919081
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -14.334
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -189.069953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.069953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.295944 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.005
local terms energy: -58.132308
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -15.558
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -175.882934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.882934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.905837 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.013
local terms energy: -47.918214
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -11.165
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: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.463734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.588339 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.031
local terms energy: -54.858117
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -7.201
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -14.535
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -171.034524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.037990 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -44.052
Base-Backbone interact. energy: 4.402
local terms energy: -58.604157
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -10.298
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: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -167.293422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.293422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.403766 (E_RNA)
where:
Base-Base interactions energy: -120.464
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.865
local terms energy: -46.074532
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -9.307
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: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -162.960820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.960820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985714 (E_RNA)
where:
Base-Base interactions energy: -116.508
where: short stacking energy: -50.022
Base-Backbone interact. energy: -0.057
local terms energy: -46.420593
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -10.714
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: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -193.990917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.990917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.021976 (E_RNA)
where:
Base-Base interactions energy: -134.516
where: short stacking energy: -61.916
Base-Backbone interact. energy: 0.480
local terms energy: -59.985797
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -16.218
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: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -189.870438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.870438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.883652 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.545
local terms energy: -53.921935
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -13.266
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -182.379592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.379592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.436123 (E_RNA)
where:
Base-Base interactions energy: -129.222
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.004
local terms energy: -53.210699
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -15.285
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: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -182.533903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.533903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862000 (E_RNA)
where:
Base-Base interactions energy: -122.720
where: short stacking energy: -57.349
Base-Backbone interact. energy: -1.861
local terms energy: -58.280746
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -12.436
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -183.315461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.315461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.492652 (E_RNA)
where:
Base-Base interactions energy: -126.187
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.002
local terms energy: -57.303787
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -13.174
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: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -185.004725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.004725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.004725 (E_RNA)
where:
Base-Base interactions energy: -128.561
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.047
local terms energy: -56.396642
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -15.478
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: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -171.366731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.366731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.394236 (E_RNA)
where:
Base-Base interactions energy: -122.559
where: short stacking energy: -56.429
Base-Backbone interact. energy: 0.294
local terms energy: -49.128515
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -6.705
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -13.273
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: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -172.423020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.423020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.487298 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.213
local terms energy: -53.654139
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -13.865
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: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -165.095129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.095129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.143912 (E_RNA)
where:
Base-Base interactions energy: -116.006
where: short stacking energy: -49.051
Base-Backbone interact. energy: -0.302
local terms energy: -48.835885
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -13.684
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: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -167.165055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.165055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.199589 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.004
local terms energy: -54.532480
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -11.905
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: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -193.907404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.907404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.005704 (E_RNA)
where:
Base-Base interactions energy: -134.940
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.018
local terms energy: -59.047193
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -13.574
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: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -190.469274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.520184 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.023
local terms energy: -60.160934
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -14.497
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: 209
Temperature: 1.000000
Total energy: -182.038640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.038640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.038640 (E_RNA)
where:
Base-Base interactions energy: -122.880
where: short stacking energy: -54.835
Base-Backbone interact. energy: 0.267
local terms energy: -59.426428
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -15.279
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: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -187.795228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.795228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.832009 (E_RNA)
where:
Base-Base interactions energy: -131.231
where: short stacking energy: -59.021
Base-Backbone interact. energy: -0.023
local terms energy: -56.577688
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -14.352
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: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -185.378873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.430822 (E_RNA)
where:
Base-Base interactions energy: -125.128
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.001
local terms energy: -60.301863
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -13.941
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: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -179.199694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.199694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.214782 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -56.963
Base-Backbone interact. energy: -0.001
local terms energy: -53.836623
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -13.816
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: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -182.190453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.190453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.249276 (E_RNA)
where:
Base-Base interactions energy: -125.147
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.358
local terms energy: -56.744302
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -16.532
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: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -173.934612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.934612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.934612 (E_RNA)
where:
Base-Base interactions energy: -116.120
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.022
local terms energy: -57.793015
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -167.107332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.107332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.358354 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.093
local terms energy: -43.298809
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -9.385
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -157.407937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.630997 (E_RNA)
where:
Base-Base interactions energy: -105.302
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.164
local terms energy: -52.165634
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -13.021
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -191.984675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.984675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.085676 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.003
local terms energy: -62.517043
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.035
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -193.824221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.824221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.824221 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.006
local terms energy: -53.860547
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -13.972
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: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -192.031604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.031604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.037312 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.055
local terms energy: -63.887508
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -17.054
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: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -190.027286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.027286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.054429 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.123
local terms energy: -56.446857
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -13.004
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: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -183.041292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.041292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.088925 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -54.671
Base-Backbone interact. energy: 0.409
local terms energy: -55.390156
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -12.241
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: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -175.293040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.293040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.388036 (E_RNA)
where:
Base-Base interactions energy: -119.774
where: short stacking energy: -52.230
Base-Backbone interact. energy: -0.056
local terms energy: -55.558078
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -14.630
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: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -184.273873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.273873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.274684 (E_RNA)
where:
Base-Base interactions energy: -126.208
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.050
local terms energy: -58.017323
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.363
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: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -179.324822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.324822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.427879 (E_RNA)
where:
Base-Base interactions energy: -128.267
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.849
local terms energy: -50.312011
where:
bonds (distance) C4'-P energy: -6.587
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -12.765
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: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -163.247301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.247301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.432023 (E_RNA)
where:
Base-Base interactions energy: -116.599
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.059
local terms energy: -46.774499
where:
bonds (distance) C4'-P energy: -7.581
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -10.149
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: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -166.383214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.383214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.512958 (E_RNA)
where:
Base-Base interactions energy: -118.873
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.139
local terms energy: -47.500926
where:
bonds (distance) C4'-P energy: -7.005
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -12.927
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: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -194.578999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.578999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.610225 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.007
local terms energy: -62.077370
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -16.237
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -189.077842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.077842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.135839 (E_RNA)
where:
Base-Base interactions energy: -131.077
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.001
local terms energy: -58.057558
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -12.306
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: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -189.666272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.666272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.811455 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.147
local terms energy: -51.008491
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -10.570
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: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -190.141092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404979 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.001
local terms energy: -54.098165
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -15.155
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: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -179.002631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.002631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.182482 (E_RNA)
where:
Base-Base interactions energy: -121.774
where: short stacking energy: -53.663
Base-Backbone interact. energy: -0.020
local terms energy: -57.388929
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -14.334
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -175.817771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.907545 (E_RNA)
where:
Base-Base interactions energy: -118.780
where: short stacking energy: -49.682
Base-Backbone interact. energy: 0.739
local terms energy: -57.866406
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -14.029
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: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -171.857836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.857836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.878603 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.001
local terms energy: -52.614543
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -13.820
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: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -174.274332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.274332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277728 (E_RNA)
where:
Base-Base interactions energy: -121.351
where: short stacking energy: -53.807
Base-Backbone interact. energy: 0.583
local terms energy: -53.509830
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.494
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: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -158.892734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.892734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.892734 (E_RNA)
where:
Base-Base interactions energy: -115.985
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.083
local terms energy: -42.825482
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -5.996
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -159.690487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.690487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.826876 (E_RNA)
where:
Base-Base interactions energy: -114.386
where: short stacking energy: -52.312
Base-Backbone interact. energy: -0.163
local terms energy: -45.277111
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -12.453
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: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -188.406815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.406815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.406815 (E_RNA)
where:
Base-Base interactions energy: -131.945
where: short stacking energy: -59.578
Base-Backbone interact. energy: -0.037
local terms energy: -56.425684
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -14.124
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -191.894501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.894501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.908693 (E_RNA)
where:
Base-Base interactions energy: -126.020
where: short stacking energy: -60.157
Base-Backbone interact. energy: -0.005
local terms energy: -65.883411
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -15.964
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: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -191.204052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204052 (E_RNA)
where:
Base-Base interactions energy: -131.386
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.048
local terms energy: -59.769815
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -15.479
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: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -182.804395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.804395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.822561 (E_RNA)
where:
Base-Base interactions energy: -126.371
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.034
local terms energy: -56.418243
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -6.760
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -13.068
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -178.322251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.322251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.535777 (E_RNA)
where:
Base-Base interactions energy: -120.581
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.003
local terms energy: -57.951285
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -13.785
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: 212
Temperature: 1.150000
Total energy: -173.857524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.857524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.335078 (E_RNA)
where:
Base-Base interactions energy: -114.092
where: short stacking energy: -51.398
Base-Backbone interact. energy: -0.079
local terms energy: -60.163757
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -13.694
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: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -173.277316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.277316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.634454 (E_RNA)
where:
Base-Base interactions energy: -119.601
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.051
local terms energy: -53.982955
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -14.683
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -164.962645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.962645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.082898 (E_RNA)
where:
Base-Base interactions energy: -112.146
where: short stacking energy: -46.690
Base-Backbone interact. energy: -0.088
local terms energy: -52.849280
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -10.099
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: 212
Temperature: 1.300000
Total energy: -169.812958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.812958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.080264 (E_RNA)
where:
Base-Base interactions energy: -120.836
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.050
local terms energy: -49.194080
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -5.989
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -12.744
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: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -172.017901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.017901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.017901 (E_RNA)
where:
Base-Base interactions energy: -119.603
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.056
local terms energy: -52.359184
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -192.066042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.066042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.086776 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -58.424
Base-Backbone interact. energy: -0.013
local terms energy: -62.522574
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.174
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -189.986132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.044037 (E_RNA)
where:
Base-Base interactions energy: -128.763
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.003
local terms energy: -61.277704
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -14.456
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: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -189.967889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.967889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.083178 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.001
local terms energy: -59.490810
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -17.982
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -186.129947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.129947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.135629 (E_RNA)
where:
Base-Base interactions energy: -129.871
where: short stacking energy: -57.473
Base-Backbone interact. energy: -0.000
local terms energy: -56.264601
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -12.276
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: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -184.960004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.960004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.965275 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.013
local terms energy: -57.139139
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -14.946
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: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -179.231946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.231946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.254994 (E_RNA)
where:
Base-Base interactions energy: -127.765
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.009
local terms energy: -51.481606
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -13.093
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: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -180.680209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.680209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.689807 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.024
local terms energy: -56.578813
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -15.026
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: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -171.302371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.386251 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.044
local terms energy: -58.734896
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -13.955
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -162.692260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.692260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.785899 (E_RNA)
where:
Base-Base interactions energy: -108.819
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.049
local terms energy: -53.918095
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -10.156
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: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -162.784656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.784656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.828644 (E_RNA)
where:
Base-Base interactions energy: -117.380
where: short stacking energy: -49.321
Base-Backbone interact. energy: -0.048
local terms energy: -45.401173
where:
bonds (distance) C4'-P energy: -7.617
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -13.192
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: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -192.666425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.666425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.666425 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.078
local terms energy: -62.820597
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -13.652
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: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -192.935815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.935815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121192 (E_RNA)
where:
Base-Base interactions energy: -130.673
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.000
local terms energy: -62.447874
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.414
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -187.077440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.077440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.096548 (E_RNA)
where:
Base-Base interactions energy: -123.435
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.000
local terms energy: -63.661684
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -14.129
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -188.644432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.644432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.658666 (E_RNA)
where:
Base-Base interactions energy: -125.604
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.020
local terms energy: -63.034593
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -16.195
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -177.948031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.948031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.971384 (E_RNA)
where:
Base-Base interactions energy: -121.070
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.096
local terms energy: -56.804630
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -13.178
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: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -188.909026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.909026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927923 (E_RNA)
where:
Base-Base interactions energy: -125.724
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.031
local terms energy: -63.173553
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -17.489
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: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -172.318714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318714 (E_RNA)
where:
Base-Base interactions energy: -120.753
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.054
local terms energy: -51.511998
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -178.296724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.296724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.372771 (E_RNA)
where:
Base-Base interactions energy: -127.139
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.008
local terms energy: -51.225027
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -7.250
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -16.414
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: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -165.554681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.554681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.757849 (E_RNA)
where:
Base-Base interactions energy: -116.381
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.110
local terms energy: -49.267515
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -9.302
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: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -160.899461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.899461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.378880 (E_RNA)
where:
Base-Base interactions energy: -112.260
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.000
local terms energy: -49.119150
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -5.727
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -15.859
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: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -189.488042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.488042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.543398 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.023
local terms energy: -57.483364
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -14.314
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -186.225463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.235757 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -55.720
Base-Backbone interact. energy: -0.101
local terms energy: -58.601321
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -14.116
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -182.576436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.593547 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -61.493
Base-Backbone interact. energy: -0.002
local terms energy: -57.175760
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -5.224
tors. eta vs tors. theta energy: -15.463
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: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -192.849926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.849926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849926 (E_RNA)
where:
Base-Base interactions energy: -133.238
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.002
local terms energy: -59.609672
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.396
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: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -181.303331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.303331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.303331 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.022
local terms energy: -60.675833
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -181.671779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.671779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.712071 (E_RNA)
where:
Base-Base interactions energy: -123.786
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.006
local terms energy: -57.920438
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -15.414
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: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -172.161137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.161137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.222323 (E_RNA)
where:
Base-Base interactions energy: -118.660
where: short stacking energy: -46.221
Base-Backbone interact. energy: 0.734
local terms energy: -54.296246
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -11.403
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: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -165.931167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.931167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.253828 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -51.266
Base-Backbone interact. energy: -0.048
local terms energy: -50.856471
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -10.329
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: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -162.211643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.211643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.248022 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -52.785
Base-Backbone interact. energy: -0.025
local terms energy: -43.646420
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -6.846
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -10.106
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: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -162.659826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.659826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.799297 (E_RNA)
where:
Base-Base interactions energy: -113.711
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.064
local terms energy: -49.024083
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -13.509
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: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -193.812122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.812122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.818266 (E_RNA)
where:
Base-Base interactions energy: -135.533
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.170
local terms energy: -58.115404
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -14.289
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: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -183.126207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.126207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126207 (E_RNA)
where:
Base-Base interactions energy: -126.565
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.015
local terms energy: -56.545975
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -12.569
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: 216
Temperature: 1.000000
Total energy: -188.922396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976583 (E_RNA)
where:
Base-Base interactions energy: -130.169
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.037
local terms energy: -58.770398
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -14.170
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: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -187.282429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.282429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.293219 (E_RNA)
where:
Base-Base interactions energy: -128.203
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.034
local terms energy: -59.056209
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -17.883
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: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -184.390146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.390146 (E_RNA)
where:
Base-Base interactions energy: -130.741
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.008
local terms energy: -53.641312
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -181.545520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.547054 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.084
local terms energy: -57.996049
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.002 (S_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: 216
Temperature: 1.200000
Total energy: -178.813759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.813759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.890625 (E_RNA)
where:
Base-Base interactions energy: -128.261
where: short stacking energy: -55.550
Base-Backbone interact. energy: 0.215
local terms energy: -50.844977
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -7.194
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -13.723
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: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -172.346732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.347603 (E_RNA)
where:
Base-Base interactions energy: -118.610
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.053
local terms energy: -53.684750
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -14.612
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: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -170.952787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.952787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.002651 (E_RNA)
where:
Base-Base interactions energy: -118.291
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.002
local terms energy: -52.709513
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -15.225
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -169.334014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.334014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.403803 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -49.671
Base-Backbone interact. energy: -0.019
local terms energy: -50.745388
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -12.104
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: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -194.808074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.808074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.871560 (E_RNA)
where:
Base-Base interactions energy: -133.614
where: short stacking energy: -60.208
Base-Backbone interact. energy: -0.103
local terms energy: -61.154304
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -14.840
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: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -190.299308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.299308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.360727 (E_RNA)
where:
Base-Base interactions energy: -130.922
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.000
local terms energy: -59.438095
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.516
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: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -186.929715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.929715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146263 (E_RNA)
where:
Base-Base interactions energy: -124.589
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.001
local terms energy: -62.556421
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -16.288
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: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -184.311516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.316362 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.046
local terms energy: -55.604840
where:
bonds (distance) C4'-P energy: -6.429
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.359
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: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -188.998359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.998359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164767 (E_RNA)
where:
Base-Base interactions energy: -125.321
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.000
local terms energy: -63.843995
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -15.331
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -182.185620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.185620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.248619 (E_RNA)
where:
Base-Base interactions energy: -127.433
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.097
local terms energy: -54.718179
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -14.478
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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -177.307338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.307338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.394680 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.014
local terms energy: -53.215297
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -15.066
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -176.237014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.237014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.237014 (E_RNA)
where:
Base-Base interactions energy: -119.621
where: short stacking energy: -49.384
Base-Backbone interact. energy: -0.072
local terms energy: -56.544479
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -165.672104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.672104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.737400 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.053
local terms energy: -50.514258
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -11.988
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -159.821771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.821771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.030014 (E_RNA)
where:
Base-Base interactions energy: -107.466
where: short stacking energy: -43.023
Base-Backbone interact. energy: -0.032
local terms energy: -52.531726
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -8.147
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -12.306
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: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -194.081770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.081770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115153 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.057
local terms energy: -65.435854
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.161
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: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -193.472462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.472462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.567565 (E_RNA)
where:
Base-Base interactions energy: -137.675
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.185
local terms energy: -55.707906
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -11.079
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: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -192.370040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.370040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.370913 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -59.054
Base-Backbone interact. energy: -0.000
local terms energy: -54.706788
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -16.263
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: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -193.151172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.151172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.151172 (E_RNA)
where:
Base-Base interactions energy: -133.648
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.092
local terms energy: -59.410687
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -16.731
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: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -169.662209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.662209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.719154 (E_RNA)
where:
Base-Base interactions energy: -118.188
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.047
local terms energy: -51.484412
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -12.454
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -178.025757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.025757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.025757 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.001
local terms energy: -49.206188
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -5.239
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -14.565
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: 218
Temperature: 1.200000
Total energy: -169.142005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.142005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.177825 (E_RNA)
where:
Base-Base interactions energy: -116.288
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.284
local terms energy: -52.605522
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -12.519
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: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -171.407304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.407304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.417104 (E_RNA)
where:
Base-Base interactions energy: -123.454
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.616
local terms energy: -47.347845
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -13.499
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: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -156.233944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.233944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.264293 (E_RNA)
where:
Base-Base interactions energy: -106.365
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.034
local terms energy: -49.865092
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -9.020
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: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -168.392521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.392521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.734312 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.091
local terms energy: -49.087057
where:
bonds (distance) C4'-P energy: -8.782
bonds (distance) P-C4' energy: -7.401
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -11.207
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: 1, replica: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -194.421828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.421828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.484835 (E_RNA)
where:
Base-Base interactions energy: -128.994
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.000
local terms energy: -65.490917
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -17.828
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: 219
Temperature: 0.950000
Total energy: -189.010225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.010225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.010225 (E_RNA)
where:
Base-Base interactions energy: -132.743
where: short stacking energy: -53.110
Base-Backbone interact. energy: -0.509
local terms energy: -55.758887
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -12.294
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -190.666057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.666057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.667234 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.001
local terms energy: -54.492193
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -14.211
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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -192.380467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.380467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.380467 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.001
local terms energy: -61.287053
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -16.822
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -186.914670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.914670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.970244 (E_RNA)
where:
Base-Base interactions energy: -124.683
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.004
local terms energy: -62.283443
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.169
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: 219
Temperature: 1.150000
Total energy: -173.524144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.524144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.593706 (E_RNA)
where:
Base-Base interactions energy: -120.518
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.002
local terms energy: -53.073778
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -12.108
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: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -172.079099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.079099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.167346 (E_RNA)
where:
Base-Base interactions energy: -115.653
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.001
local terms energy: -56.514213
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -14.681
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: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -170.652777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.652777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.212229 (E_RNA)
where:
Base-Base interactions energy: -121.613
where: short stacking energy: -50.727
Base-Backbone interact. energy: -0.945
local terms energy: -48.653994
where:
bonds (distance) C4'-P energy: -3.871
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -13.777
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: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -159.873757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.873757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.914171 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.605
local terms energy: -42.695738
where:
bonds (distance) C4'-P energy: -6.851
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -9.560
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: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -161.243245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.243245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.313916 (E_RNA)
where:
Base-Base interactions energy: -113.907
where: short stacking energy: -48.730
Base-Backbone interact. energy: -0.019
local terms energy: -47.387646
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -9.503
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: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -192.406271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.406271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.437027 (E_RNA)
where:
Base-Base interactions energy: -135.860
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.100
local terms energy: -56.477532
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -12.902
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -187.481726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.481726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.481726 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.002
local terms energy: -60.831079
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -15.408
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -185.536239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.536239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.544611 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.003
local terms energy: -57.339884
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -13.298
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: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -184.274700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.274700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.319877 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.071
local terms energy: -57.197347
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -10.934
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: 220
Temperature: 1.100000
Total energy: -187.169484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.169484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.179933 (E_RNA)
where:
Base-Base interactions energy: -129.195
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.037
local terms energy: -57.948457
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -16.568
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: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -178.605463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.605463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739209 (E_RNA)
where:
Base-Base interactions energy: -123.943
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.107
local terms energy: -54.689156
where:
bonds (distance) C4'-P energy: -7.663
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -13.826
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: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -173.106463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.106463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.157273 (E_RNA)
where:
Base-Base interactions energy: -120.883
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.012
local terms energy: -52.261901
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -11.799
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: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -158.750002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.750002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.991815 (E_RNA)
where:
Base-Base interactions energy: -113.094
where: short stacking energy: -42.532
Base-Backbone interact. energy: -0.205
local terms energy: -45.692760
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.230
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: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -173.835552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.835552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.908646 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -47.777
Base-Backbone interact. energy: -0.652
local terms energy: -56.403782
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -9.214
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -12.741
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: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -164.954631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.954631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.980120 (E_RNA)
where:
Base-Base interactions energy: -110.956
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.022
local terms energy: -54.002336
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -11.198
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: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -193.639227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.639227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.687404 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.166
local terms energy: -55.225410
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -11.889
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: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -190.594431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.594431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620559 (E_RNA)
where:
Base-Base interactions energy: -129.800
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.072
local terms energy: -60.748059
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.284
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -192.611413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.611413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.663875 (E_RNA)
where:
Base-Base interactions energy: -132.026
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.008
local terms energy: -60.630576
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -16.834
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: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -186.246359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.246359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.440211 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.031
local terms energy: -61.831811
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -13.446
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -181.749522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.749522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.772912 (E_RNA)
where:
Base-Base interactions energy: -125.082
where: short stacking energy: -53.676
Base-Backbone interact. energy: -0.009
local terms energy: -56.681764
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -15.824
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: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -183.607467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.607467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.625424 (E_RNA)
where:
Base-Base interactions energy: -127.844
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.003
local terms energy: -55.778316
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -14.149
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: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -172.014314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.014314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.014314 (E_RNA)
where:
Base-Base interactions energy: -120.042
where: short stacking energy: -51.121
Base-Backbone interact. energy: -0.008
local terms energy: -51.964435
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -167.427644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.427644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.520325 (E_RNA)
where:
Base-Base interactions energy: -119.743
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.003
local terms energy: -47.774370
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -2.369
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -15.723
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -168.793138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.793138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.983682 (E_RNA)
where:
Base-Base interactions energy: -114.243
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.506
local terms energy: -54.234771
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -11.890
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: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -155.849770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.849770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.967649 (E_RNA)
where:
Base-Base interactions energy: -116.657
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.038
local terms energy: -39.272270
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -8.362
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: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -191.315652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.315652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.335515 (E_RNA)
where:
Base-Base interactions energy: -129.843
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.004
local terms energy: -61.488571
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -186.558954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.583120 (E_RNA)
where:
Base-Base interactions energy: -132.487
where: short stacking energy: -51.592
Base-Backbone interact. energy: -1.621
local terms energy: -52.475604
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -13.171
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -187.049004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.049004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.049004 (E_RNA)
where:
Base-Base interactions energy: -129.003
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.000
local terms energy: -58.046066
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -17.815
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: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -188.821595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.955464 (E_RNA)
where:
Base-Base interactions energy: -130.991
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.020
local terms energy: -57.945104
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -16.907
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: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -173.600800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.600800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.623022 (E_RNA)
where:
Base-Base interactions energy: -115.807
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.101
local terms energy: -57.714958
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.349
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: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -184.591644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.591644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.656342 (E_RNA)
where:
Base-Base interactions energy: -130.083
where: short stacking energy: -61.872
Base-Backbone interact. energy: -0.371
local terms energy: -54.201805
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -16.380
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: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -175.348996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.348996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.367591 (E_RNA)
where:
Base-Base interactions energy: -120.247
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.046
local terms energy: -55.075048
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -13.999
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: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -178.403355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.403355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421610 (E_RNA)
where:
Base-Base interactions energy: -122.535
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.002
local terms energy: -55.884180
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -13.880
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: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -162.982442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.982442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.983621 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.216
local terms energy: -39.519546
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -9.226
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: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -162.721323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.721323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.962765 (E_RNA)
where:
Base-Base interactions energy: -113.906
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.018
local terms energy: -49.038028
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -6.066
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -15.435
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: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -196.973750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054850 (E_RNA)
where:
Base-Base interactions energy: -131.812
where: short stacking energy: -59.766
Base-Backbone interact. energy: -0.078
local terms energy: -65.165112
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -16.919
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: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -193.409395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.441940 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.005
local terms energy: -60.893692
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -16.336
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: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -183.140287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.140287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140287 (E_RNA)
where:
Base-Base interactions energy: -129.167
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.018
local terms energy: -53.954895
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.725
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: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -187.539867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.539867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.595456 (E_RNA)
where:
Base-Base interactions energy: -132.223
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.014
local terms energy: -55.358910
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -15.358
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: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -183.186413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.186413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.186413 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.000
local terms energy: -58.437643
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -176.742652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.742652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.742652 (E_RNA)
where:
Base-Base interactions energy: -119.800
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.205
local terms energy: -56.737514
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -11.676
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -172.749092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.749092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.754629 (E_RNA)
where:
Base-Base interactions energy: -119.281
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.435
local terms energy: -53.037990
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -11.194
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: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -170.104888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.104888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.471131 (E_RNA)
where:
Base-Base interactions energy: -122.742
where: short stacking energy: -46.602
Base-Backbone interact. energy: -0.146
local terms energy: -47.583646
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -10.889
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: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -175.062660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.062660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.402627 (E_RNA)
where:
Base-Base interactions energy: -121.059
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.000
local terms energy: -54.343194
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.728
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: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -166.542514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.550924 (E_RNA)
where:
Base-Base interactions energy: -112.070
where: short stacking energy: -43.820
Base-Backbone interact. energy: -0.022
local terms energy: -54.459127
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -11.580
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: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -191.732259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.732259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941662 (E_RNA)
where:
Base-Base interactions energy: -127.534
where: short stacking energy: -59.658
Base-Backbone interact. energy: -0.003
local terms energy: -64.404704
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.202
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: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -191.819292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.819292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.819292 (E_RNA)
where:
Base-Base interactions energy: -126.709
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.019
local terms energy: -65.090540
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -17.894
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: 224
Temperature: 1.000000
Total energy: -189.806899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.025544 (E_RNA)
where:
Base-Base interactions energy: -130.764
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.003
local terms energy: -59.258743
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -15.311
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: 224
Temperature: 1.050000
Total energy: -184.219644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.219644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.361395 (E_RNA)
where:
Base-Base interactions energy: -122.619
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.000
local terms energy: -61.742316
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -13.478
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: 224
Temperature: 1.100000
Total energy: -180.797068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.797068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.881187 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.028
local terms energy: -55.638335
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -14.067
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: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -177.507305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.507305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.747850 (E_RNA)
where:
Base-Base interactions energy: -118.383
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.688
local terms energy: -58.676643
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -12.561
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -176.994504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.994504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182720 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.003
local terms energy: -50.331009
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -13.057
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: 224
Temperature: 1.250000
Total energy: -172.681230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.681230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.799544 (E_RNA)
where:
Base-Base interactions energy: -125.737
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.062
local terms energy: -47.000278
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -10.462
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: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -168.369264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.369264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.585227 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.016
local terms energy: -50.799026
where:
bonds (distance) C4'-P energy: -7.078
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -11.204
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: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -167.241886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.241886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.458758 (E_RNA)
where:
Base-Base interactions energy: -120.286
where: short stacking energy: -54.472
Base-Backbone interact. energy: -0.030
local terms energy: -47.142582
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -5.272
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -10.925
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: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -191.786893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.786893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842142 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -56.608
Base-Backbone interact. energy: 0.004
local terms energy: -63.685917
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -17.303
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: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -196.882995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.882995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.931651 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.000
local terms energy: -60.234163
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -15.125
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -183.262580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.262580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.327358 (E_RNA)
where:
Base-Base interactions energy: -131.935
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.034
local terms energy: -51.358210
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -7.561
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: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -188.527744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.527744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.768681 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -60.764
Base-Backbone interact. energy: -0.004
local terms energy: -57.888106
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -16.955
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: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -183.364720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.364720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.407448 (E_RNA)
where:
Base-Base interactions energy: -126.068
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.052
local terms energy: -57.287348
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -14.324
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: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -184.072129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.072129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.087844 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.030
local terms energy: -59.691071
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -15.522
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: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -179.291966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.291966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.304504 (E_RNA)
where:
Base-Base interactions energy: -121.651
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.019
local terms energy: -57.634016
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -14.773
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: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -169.250651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.250651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.343352 (E_RNA)
where:
Base-Base interactions energy: -114.986
where: short stacking energy: -46.577
Base-Backbone interact. energy: -0.141
local terms energy: -54.216383
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -11.399
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: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -167.793302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.793302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.846195 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -51.289
Base-Backbone interact. energy: -0.018
local terms energy: -50.991787
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -12.039
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: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -172.108053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273680 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.073
local terms energy: -48.215031
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -8.672
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: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -193.402577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.402577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.528699 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.001
local terms energy: -65.195012
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -17.795
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: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -188.548618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.548618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.566993 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.002
local terms energy: -61.055547
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -16.614
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: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -181.544081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.558345 (E_RNA)
where:
Base-Base interactions energy: -125.411
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.010
local terms energy: -56.138191
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -12.920
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: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -185.452119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.452119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.457244 (E_RNA)
where:
Base-Base interactions energy: -124.954
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.015
local terms energy: -60.487919
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -16.538
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: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -182.690406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.690406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.799960 (E_RNA)
where:
Base-Base interactions energy: -130.876
where: short stacking energy: -51.336
Base-Backbone interact. energy: -0.493
local terms energy: -51.430823
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -11.462
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: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -171.763145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.763145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799800 (E_RNA)
where:
Base-Base interactions energy: -119.965
where: short stacking energy: -49.635
Base-Backbone interact. energy: -0.762
local terms energy: -51.072832
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -11.202
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: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -171.812230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.812230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.812230 (E_RNA)
where:
Base-Base interactions energy: -119.496
where: short stacking energy: -53.218
Base-Backbone interact. energy: -0.063
local terms energy: -52.253584
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -167.593582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.593582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.594730 (E_RNA)
where:
Base-Base interactions energy: -113.417
where: short stacking energy: -43.674
Base-Backbone interact. energy: -0.004
local terms energy: -54.174621
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -12.419
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: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -148.105495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.105495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.252658 (E_RNA)
where:
Base-Base interactions energy: -102.831
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.102
local terms energy: -45.319560
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -7.326
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: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -168.385121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.385121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.511401 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -46.601
Base-Backbone interact. energy: -0.159
local terms energy: -51.125753
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -12.485
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: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -193.071903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123264 (E_RNA)
where:
Base-Base interactions energy: -132.631
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.000
local terms energy: -60.491898
where:
bonds (distance) C4'-P energy: -7.245
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -17.455
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: 227
Temperature: 0.950000
Total energy: -195.378479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594133 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.030
local terms energy: -62.924209
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -17.181
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: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -192.173745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.173745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.255011 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.157
local terms energy: -57.956619
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -8.421
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -17.961
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -177.860603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.860603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920831 (E_RNA)
where:
Base-Base interactions energy: -120.918
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.042
local terms energy: -56.960470
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.623
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -184.689555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.689555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.824514 (E_RNA)
where:
Base-Base interactions energy: -126.028
where: short stacking energy: -56.779
Base-Backbone interact. energy: -0.301
local terms energy: -58.495413
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -14.676
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: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -178.909262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.909262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.001373 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.041
local terms energy: -46.877802
where:
bonds (distance) C4'-P energy: -5.920
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -13.764
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: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -168.702250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.702250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.840496 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.001
local terms energy: -57.180110
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -12.274
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: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -166.420168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.420168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.496552 (E_RNA)
where:
Base-Base interactions energy: -117.427
where: short stacking energy: -56.297
Base-Backbone interact. energy: -0.082
local terms energy: -48.987428
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -11.910
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: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -163.661539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.661539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.669922 (E_RNA)
where:
Base-Base interactions energy: -115.794
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.925
local terms energy: -46.951081
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -8.199
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: 227
Temperature: 1.350000
Total energy: -160.778617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.778617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833104 (E_RNA)
where:
Base-Base interactions energy: -110.259
where: short stacking energy: -46.887
Base-Backbone interact. energy: -0.023
local terms energy: -50.550857
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -13.472
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -197.000075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.002628 (E_RNA)
where:
Base-Base interactions energy: -138.144
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.000
local terms energy: -58.858696
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -15.915
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: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -192.061615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.068437 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -55.488
Base-Backbone interact. energy: -0.003
local terms energy: -66.639129
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -16.127
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: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -189.494020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.494020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.494020 (E_RNA)
where:
Base-Base interactions energy: -126.881
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.003
local terms energy: -62.610551
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.453
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: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -192.215640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.290878 (E_RNA)
where:
Base-Base interactions energy: -130.823
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.002
local terms energy: -61.465431
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -16.089
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: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -184.706108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.706108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.706108 (E_RNA)
where:
Base-Base interactions energy: -128.691
where: short stacking energy: -61.904
Base-Backbone interact. energy: -0.002
local terms energy: -56.013442
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -182.200643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240284 (E_RNA)
where:
Base-Base interactions energy: -124.902
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.415
local terms energy: -56.923292
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -14.833
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: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -172.354746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.354746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.354746 (E_RNA)
where:
Base-Base interactions energy: -116.996
where: short stacking energy: -48.035
Base-Backbone interact. energy: 0.068
local terms energy: -55.426536
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -178.471215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.471215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.580552 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.489
local terms energy: -51.005206
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -14.515
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: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -167.382971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.382971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.565462 (E_RNA)
where:
Base-Base interactions energy: -120.094
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.389
local terms energy: -47.083084
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -11.544
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: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -156.376467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.376467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.648131 (E_RNA)
where:
Base-Base interactions energy: -104.489
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.102
local terms energy: -52.056757
where:
bonds (distance) C4'-P energy: -6.346
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -9.374
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: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -195.340109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.340109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.342134 (E_RNA)
where:
Base-Base interactions energy: -131.737
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.000
local terms energy: -63.604810
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -196.054740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.103670 (E_RNA)
where:
Base-Base interactions energy: -137.128
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.002
local terms energy: -58.974268
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -13.641
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: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -187.014518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.014518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.095254 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.007
local terms energy: -64.832275
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -17.526
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: 229
Temperature: 1.050000
Total energy: -185.202759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.202759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.516316 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.022
local terms energy: -64.578790
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -16.857
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -182.482532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.482532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528578 (E_RNA)
where:
Base-Base interactions energy: -129.693
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.037
local terms energy: -52.798293
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -5.432
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.339
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: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -177.874422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.874422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.939821 (E_RNA)
where:
Base-Base interactions energy: -123.452
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.308
local terms energy: -54.180568
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -14.234
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: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -168.246542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.246542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.518318 (E_RNA)
where:
Base-Base interactions energy: -115.410
where: short stacking energy: -52.954
Base-Backbone interact. energy: -0.435
local terms energy: -52.673950
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -13.829
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: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -176.452932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.452932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.495846 (E_RNA)
where:
Base-Base interactions energy: -124.182
where: short stacking energy: -47.958
Base-Backbone interact. energy: -0.125
local terms energy: -52.188775
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -13.232
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: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -164.411395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.411395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.437465 (E_RNA)
where:
Base-Base interactions energy: -116.531
where: short stacking energy: -47.338
Base-Backbone interact. energy: 0.027
local terms energy: -47.934102
where:
bonds (distance) C4'-P energy: -3.994
bonds (distance) P-C4' energy: -8.480
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -11.134
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: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -157.945651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.945651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.718615 (E_RNA)
where:
Base-Base interactions energy: -104.796
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.001
local terms energy: -53.921712
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -11.635
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: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -193.923856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.923856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.981799 (E_RNA)
where:
Base-Base interactions energy: -133.301
where: short stacking energy: -58.673
Base-Backbone interact. energy: 0.187
local terms energy: -60.867799
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -15.191
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -187.967486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.967486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.967486 (E_RNA)
where:
Base-Base interactions energy: -126.176
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.025
local terms energy: -61.766516
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -16.362
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: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -188.541781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.541781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.541781 (E_RNA)
where:
Base-Base interactions energy: -129.877
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.576
local terms energy: -58.088529
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -13.842
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: 230
Temperature: 1.050000
Total energy: -182.990925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.990925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126962 (E_RNA)
where:
Base-Base interactions energy: -121.998
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.016
local terms energy: -61.112188
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -14.905
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: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -185.988620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.988620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.064353 (E_RNA)
where:
Base-Base interactions energy: -126.570
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.006
local terms energy: -59.488774
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -17.022
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -182.485477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.485477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.618460 (E_RNA)
where:
Base-Base interactions energy: -126.889
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.003
local terms energy: -55.727064
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -14.421
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: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -167.294523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.294523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.294523 (E_RNA)
where:
Base-Base interactions energy: -117.405
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.296
local terms energy: -49.593519
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -167.807476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.807476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.930629 (E_RNA)
where:
Base-Base interactions energy: -119.826
where: short stacking energy: -50.718
Base-Backbone interact. energy: -0.095
local terms energy: -48.009572
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -5.227
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -13.480
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -175.190879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.190879 (E_RNA)
where:
Base-Base interactions energy: -123.315
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.001
local terms energy: -51.874547
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -165.304965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.304965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.397859 (E_RNA)
where:
Base-Base interactions energy: -108.256
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.009
local terms energy: -57.132971
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -13.521
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: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -193.430139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.430139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.576351 (E_RNA)
where:
Base-Base interactions energy: -130.820
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.602
local terms energy: -62.154565
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -16.353
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: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -188.432258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.432258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463851 (E_RNA)
where:
Base-Base interactions energy: -132.469
where: short stacking energy: -61.576
Base-Backbone interact. energy: -0.007
local terms energy: -55.988369
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -12.719
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: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -189.379073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.379073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.379073 (E_RNA)
where:
Base-Base interactions energy: -134.292
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.002
local terms energy: -55.085612
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -15.498
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: 231
Temperature: 1.050000
Total energy: -186.763837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.763837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.817374 (E_RNA)
where:
Base-Base interactions energy: -132.207
where: short stacking energy: -56.818
Base-Backbone interact. energy: -0.049
local terms energy: -54.560985
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -11.431
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: 231
Temperature: 1.100000
Total energy: -179.696140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.696140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.704040 (E_RNA)
where:
Base-Base interactions energy: -123.393
where: short stacking energy: -58.427
Base-Backbone interact. energy: 0.356
local terms energy: -56.667210
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -17.266
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: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -179.766050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.766050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.804163 (E_RNA)
where:
Base-Base interactions energy: -122.621
where: short stacking energy: -56.428
Base-Backbone interact. energy: -0.016
local terms energy: -57.167225
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -14.824
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -174.699851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.699851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.762331 (E_RNA)
where:
Base-Base interactions energy: -120.960
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.002
local terms energy: -53.800273
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -14.528
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: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -162.182663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.182663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.270263 (E_RNA)
where:
Base-Base interactions energy: -113.120
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.241
local terms energy: -48.909508
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -9.334
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: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -176.118651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.118651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.440620 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.601
local terms energy: -55.641380
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -13.270
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -157.500578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.500578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.516176 (E_RNA)
where:
Base-Base interactions energy: -111.746
where: short stacking energy: -45.537
Base-Backbone interact. energy: -0.207
local terms energy: -45.563568
where:
bonds (distance) C4'-P energy: -1.421
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -10.589
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: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -197.656537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.656537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.709068 (E_RNA)
where:
Base-Base interactions energy: -131.923
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.015
local terms energy: -65.770315
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.057
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: 232
Temperature: 0.950000
Total energy: -190.350301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.350301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.393629 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.001
local terms energy: -52.704401
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -16.089
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: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -189.888120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.888120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.919159 (E_RNA)
where:
Base-Base interactions energy: -129.013
where: short stacking energy: -57.797
Base-Backbone interact. energy: 1.479
local terms energy: -62.385244
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.746
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: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -188.160671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.160671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.177025 (E_RNA)
where:
Base-Base interactions energy: -131.396
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.001
local terms energy: -56.780785
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -15.094
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: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -175.198629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.198629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205859 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -48.229
Base-Backbone interact. energy: -0.088
local terms energy: -58.031979
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -13.576
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: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -178.183868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.265900 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -54.881
Base-Backbone interact. energy: -0.003
local terms energy: -55.212023
where:
bonds (distance) C4'-P energy: -8.089
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -13.647
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -168.851347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.851347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.862227 (E_RNA)
where:
Base-Base interactions energy: -120.851
where: short stacking energy: -50.631
Base-Backbone interact. energy: -0.099
local terms energy: -47.912249
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -11.201
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: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -169.913926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.913926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.936842 (E_RNA)
where:
Base-Base interactions energy: -119.796
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.006
local terms energy: -50.134581
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -10.669
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: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -166.282437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.493111 (E_RNA)
where:
Base-Base interactions energy: -111.892
where: short stacking energy: -49.394
Base-Backbone interact. energy: -0.242
local terms energy: -54.358670
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -11.000
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: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -168.087798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.087798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.134584 (E_RNA)
where:
Base-Base interactions energy: -113.132
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.062
local terms energy: -54.940669
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -13.628
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: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -195.338853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.338853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.389672 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.018
local terms energy: -62.985516
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -14.609
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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -190.732165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.732165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.763036 (E_RNA)
where:
Base-Base interactions energy: -129.646
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.343
local terms energy: -60.774063
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -16.746
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -188.600028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.600028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.650328 (E_RNA)
where:
Base-Base interactions energy: -128.536
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.004
local terms energy: -60.110562
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -16.098
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: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -176.892525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.892525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912435 (E_RNA)
where:
Base-Base interactions energy: -113.814
where: short stacking energy: -43.596
Base-Backbone interact. energy: -0.025
local terms energy: -63.073607
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.020 (S_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: -181.754870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.754870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.754870 (E_RNA)
where:
Base-Base interactions energy: -120.735
where: short stacking energy: -55.110
Base-Backbone interact. energy: -0.006
local terms energy: -61.013413
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -183.100729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.100729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.162889 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -58.395
Base-Backbone interact. energy: -0.001
local terms energy: -54.460035
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.600
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: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -172.594238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.594238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.817403 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -48.125
Base-Backbone interact. energy: -0.018
local terms energy: -52.221598
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -9.686
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: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -168.103653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.310614 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.004
local terms energy: -47.808622
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -9.461
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -11.856
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: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -163.812337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.812337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.850401 (E_RNA)
where:
Base-Base interactions energy: -112.464
where: short stacking energy: -48.624
Base-Backbone interact. energy: -0.004
local terms energy: -51.382667
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -11.993
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: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -170.897484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.897484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.976493 (E_RNA)
where:
Base-Base interactions energy: -115.644
where: short stacking energy: -51.278
Base-Backbone interact. energy: -0.132
local terms energy: -55.200121
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -12.599
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: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -193.525790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.525790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.536683 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.019
local terms energy: -62.179172
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -15.131
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: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -185.021807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.021807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.055458 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.066
local terms energy: -53.099437
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -13.137
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -191.068432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.068432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.296204 (E_RNA)
where:
Base-Base interactions energy: -127.827
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.016
local terms energy: -63.453712
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -14.416
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: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -193.232041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.274500 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.000
local terms energy: -60.008949
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -16.299
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: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -180.260698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.260698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345250 (E_RNA)
where:
Base-Base interactions energy: -123.366
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.016
local terms energy: -56.963013
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -14.123
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: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -179.536283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.536283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.536283 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -55.893
Base-Backbone interact. energy: -0.030
local terms energy: -53.808792
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -12.239
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -169.833658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.833658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.836085 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -46.492
Base-Backbone interact. energy: 0.931
local terms energy: -41.049243
where:
bonds (distance) C4'-P energy: -7.005
bonds (distance) P-C4' energy: -2.536
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -9.558
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -167.525072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.525072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.638869 (E_RNA)
where:
Base-Base interactions energy: -113.437
where: short stacking energy: -49.524
Base-Backbone interact. energy: -0.292
local terms energy: -53.910038
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -11.019
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -165.268575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.268575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.371087 (E_RNA)
where:
Base-Base interactions energy: -111.258
where: short stacking energy: -51.086
Base-Backbone interact. energy: -0.011
local terms energy: -54.102048
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -12.702
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: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -153.164065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.622815 (E_RNA)
where:
Base-Base interactions energy: -100.622
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.016
local terms energy: -52.985006
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -10.612
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: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -192.490126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.490126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.490126 (E_RNA)
where:
Base-Base interactions energy: -129.802
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.003
local terms energy: -62.685579
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -16.085
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -193.090034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.090034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.288308 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -58.953
Base-Backbone interact. energy: 0.496
local terms energy: -61.736294
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -18.234
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: 235
Temperature: 1.000000
Total energy: -188.448663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.551656 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.000
local terms energy: -55.343231
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -15.626
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: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -187.299652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.401910 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.029
local terms energy: -57.403536
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -16.303
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -186.340875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.340875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.349690 (E_RNA)
where:
Base-Base interactions energy: -128.161
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.005
local terms energy: -58.183909
where:
bonds (distance) C4'-P energy: -7.316
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -16.563
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: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -171.995261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.995261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.995261 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -51.209
Base-Backbone interact. energy: -0.195
local terms energy: -51.867047
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -13.747
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -173.745289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.745289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.881006 (E_RNA)
where:
Base-Base interactions energy: -126.129
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.377
local terms energy: -47.374784
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -11.204
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: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -171.719332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.794633 (E_RNA)
where:
Base-Base interactions energy: -115.295
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.154
local terms energy: -56.346085
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -9.089
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: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -162.362239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.362239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.640931 (E_RNA)
where:
Base-Base interactions energy: -113.595
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.082
local terms energy: -48.963792
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.158
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: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -154.908327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.908327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.960082 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -45.984
Base-Backbone interact. energy: -0.132
local terms energy: -43.076131
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -7.838
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -10.587
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -196.536370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.536370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.564848 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.599
local terms energy: -62.319061
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -18.163
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: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -194.723145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.723145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.913575 (E_RNA)
where:
Base-Base interactions energy: -130.453
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.008
local terms energy: -64.452375
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -17.019
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: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -191.437650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.437650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.451317 (E_RNA)
where:
Base-Base interactions energy: -133.624
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.001
local terms energy: -57.826583
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -16.577
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: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -184.006674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.006674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.018340 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.005
local terms energy: -54.411243
where:
bonds (distance) C4'-P energy: -8.292
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -13.907
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: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -186.030686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.030686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.137487 (E_RNA)
where:
Base-Base interactions energy: -126.090
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.002
local terms energy: -60.045382
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -16.045
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: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -180.385957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.385957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.467412 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.007
local terms energy: -54.808394
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -14.549
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: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -174.433019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.433019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.569223 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -48.498
Base-Backbone interact. energy: -0.507
local terms energy: -49.358342
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -11.741
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: 236
Temperature: 1.250000
Total energy: -170.671091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.671091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.681288 (E_RNA)
where:
Base-Base interactions energy: -114.553
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.155
local terms energy: -55.972889
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -13.147
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: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -163.062282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.062282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.131418 (E_RNA)
where:
Base-Base interactions energy: -112.183
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.050
local terms energy: -50.897824
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -9.037
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -165.343147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.343147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.343147 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -47.237
Base-Backbone interact. energy: -0.018
local terms energy: -44.672855
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -6.397
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -192.272456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.272456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.272456 (E_RNA)
where:
Base-Base interactions energy: -128.196
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.006
local terms energy: -64.070202
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -17.110
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -194.795547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.795547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.855186 (E_RNA)
where:
Base-Base interactions energy: -131.553
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.012
local terms energy: -63.290169
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -16.918
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: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -190.930799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.930799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.058601 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.033
local terms energy: -58.859852
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -16.993
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: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -188.035948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.035948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.065187 (E_RNA)
where:
Base-Base interactions energy: -131.023
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.001
local terms energy: -57.041224
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.185
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: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -185.002660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.101120 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.015
local terms energy: -56.540416
where:
bonds (distance) C4'-P energy: -6.180
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -16.089
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: 237
Temperature: 1.150000
Total energy: -171.927113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.955643 (E_RNA)
where:
Base-Base interactions energy: -124.711
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.465
local terms energy: -46.780014
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -13.096
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: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -169.601123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.601123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.631094 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.366
local terms energy: -51.928383
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -11.649
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -167.432583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.432583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.783063 (E_RNA)
where:
Base-Base interactions energy: -115.407
where: short stacking energy: -42.585
Base-Backbone interact. energy: -0.293
local terms energy: -52.083414
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -11.652
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: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -175.843212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.843212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.857568 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -53.405
Base-Backbone interact. energy: -0.002
local terms energy: -52.790503
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -13.580
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: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -165.773476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.773476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.773476 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.096
local terms energy: -51.254375
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -188.435551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.435551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.435551 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.005
local terms energy: -55.525953
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -13.080
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: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -190.082178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.082178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.266056 (E_RNA)
where:
Base-Base interactions energy: -134.699
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.001
local terms energy: -55.565962
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -16.207
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: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -185.071442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.071442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.125497 (E_RNA)
where:
Base-Base interactions energy: -129.959
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.097
local terms energy: -55.069798
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -12.816
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: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -188.552794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.552794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.607812 (E_RNA)
where:
Base-Base interactions energy: -137.237
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.405
local terms energy: -50.966072
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -11.162
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: 238
Temperature: 1.100000
Total energy: -178.748359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.748359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.798455 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.106
local terms energy: -56.374144
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -14.265
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: 238
Temperature: 1.150000
Total energy: -185.189511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.238035 (E_RNA)
where:
Base-Base interactions energy: -130.349
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.001
local terms energy: -54.887597
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -16.203
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: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -178.341396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.341396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360758 (E_RNA)
where:
Base-Base interactions energy: -122.182
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.033
local terms energy: -56.145326
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -15.187
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: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -169.026084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.026084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.103388 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.036
local terms energy: -51.060349
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -13.887
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -169.704990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.704990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.870920 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -49.105
Base-Backbone interact. energy: 0.172
local terms energy: -51.486364
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -10.568
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: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -156.634282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.634282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.753799 (E_RNA)
where:
Base-Base interactions energy: -106.390
where: short stacking energy: -41.617
Base-Backbone interact. energy: -0.861
local terms energy: -49.503397
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -7.078
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: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -191.884469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.884469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.884469 (E_RNA)
where:
Base-Base interactions energy: -134.211
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.500
local terms energy: -57.173953
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -14.562
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: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -189.568492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.637895 (E_RNA)
where:
Base-Base interactions energy: -132.151
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.090
local terms energy: -57.397428
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -15.195
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: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -188.135934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.135934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.221954 (E_RNA)
where:
Base-Base interactions energy: -128.659
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.050
local terms energy: -59.512953
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -15.890
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -192.921466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953467 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -48.972
Base-Backbone interact. energy: 0.619
local terms energy: -58.952474
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -9.355
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: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -177.585247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.585247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.649622 (E_RNA)
where:
Base-Base interactions energy: -125.507
where: short stacking energy: -50.299
Base-Backbone interact. energy: -0.412
local terms energy: -51.730027
where:
bonds (distance) C4'-P energy: -4.608
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -14.080
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: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -181.524443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.524443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.549675 (E_RNA)
where:
Base-Base interactions energy: -127.812
where: short stacking energy: -60.971
Base-Backbone interact. energy: -0.000
local terms energy: -53.737628
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -15.284
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -173.388708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.388708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.388708 (E_RNA)
where:
Base-Base interactions energy: -123.590
where: short stacking energy: -44.807
Base-Backbone interact. energy: -0.209
local terms energy: -49.589231
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -171.754105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.754105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.924699 (E_RNA)
where:
Base-Base interactions energy: -127.110
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.164
local terms energy: -44.650109
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -8.377
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -9.117
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: 239
Temperature: 1.300000
Total energy: -163.347724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.347724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.498896 (E_RNA)
where:
Base-Base interactions energy: -108.746
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.211
local terms energy: -54.541711
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -12.076
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: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -164.258885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.258885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.259628 (E_RNA)
where:
Base-Base interactions energy: -109.615
where: short stacking energy: -42.569
Base-Backbone interact. energy: -0.017
local terms energy: -54.627929
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -12.658
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: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -197.938177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.977556 (E_RNA)
where:
Base-Base interactions energy: -135.518
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.003
local terms energy: -62.456484
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -17.307
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: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -190.285144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.285144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.503302 (E_RNA)
where:
Base-Base interactions energy: -136.214
where: short stacking energy: -55.195
Base-Backbone interact. energy: -1.533
local terms energy: -52.756282
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -13.233
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: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -190.442144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.442144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.527569 (E_RNA)
where:
Base-Base interactions energy: -133.084
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.343
local terms energy: -57.100563
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -15.360
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: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -183.782538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.782538 (E_RNA)
where:
Base-Base interactions energy: -133.232
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.122
local terms energy: -50.428298
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -16.729
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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -179.880272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.880272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.888768 (E_RNA)
where:
Base-Base interactions energy: -125.453
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.002
local terms energy: -54.434461
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -14.127
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: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -188.656164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.656164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.687867 (E_RNA)
where:
Base-Base interactions energy: -129.231
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.000
local terms energy: -59.456905
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -15.064
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: 240
Temperature: 1.200000
Total energy: -177.210091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.221618 (E_RNA)
where:
Base-Base interactions energy: -120.006
where: short stacking energy: -51.396
Base-Backbone interact. energy: -0.006
local terms energy: -57.209424
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -11.122
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: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -177.921068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.921068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.925667 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.194
local terms energy: -48.991024
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -7.413
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.125
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: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -155.382512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.382512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.627927 (E_RNA)
where:
Base-Base interactions energy: -110.693
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.001
local terms energy: -44.934181
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -8.530
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: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -160.973625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.973625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.998578 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.593
local terms energy: -47.712965
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -9.649
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -9.552
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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -196.706148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.706148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.742865 (E_RNA)
where:
Base-Base interactions energy: -134.861
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.000
local terms energy: -61.881904
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -17.202
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -188.377948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.377948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.418473 (E_RNA)
where:
Base-Base interactions energy: -127.446
where: short stacking energy: -57.590
Base-Backbone interact. energy: -0.583
local terms energy: -60.389573
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -15.395
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -183.362783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.362783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.371567 (E_RNA)
where:
Base-Base interactions energy: -131.501
where: short stacking energy: -48.669
Base-Backbone interact. energy: -0.077
local terms energy: -51.793326
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -10.299
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: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -186.074610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.074610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.089522 (E_RNA)
where:
Base-Base interactions energy: -129.767
where: short stacking energy: -59.031
Base-Backbone interact. energy: -0.002
local terms energy: -56.319761
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.214
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: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -182.064377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.064377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.120096 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.000
local terms energy: -56.500095
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -14.448
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: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -181.047106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.047106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150159 (E_RNA)
where:
Base-Base interactions energy: -122.179
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.040
local terms energy: -58.931162
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -15.634
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: 241
Temperature: 1.200000
Total energy: -174.859489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.859489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.859489 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.003
local terms energy: -49.755387
where:
bonds (distance) C4'-P energy: -5.464
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -159.721497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.721497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.821485 (E_RNA)
where:
Base-Base interactions energy: -110.808
where: short stacking energy: -42.822
Base-Backbone interact. energy: -0.606
local terms energy: -48.407159
where:
bonds (distance) C4'-P energy: -5.837
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -11.422
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: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -174.735717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.735717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.780448 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.013
local terms energy: -57.013714
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -14.777
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: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -164.478665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.478665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.490180 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -50.097
Base-Backbone interact. energy: -0.251
local terms energy: -45.004451
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -6.477
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -8.959
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: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -193.877073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.878409 (E_RNA)
where:
Base-Base interactions energy: -134.064
where: short stacking energy: -64.042
Base-Backbone interact. energy: -0.001
local terms energy: -59.812624
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -18.009
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: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -190.622926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.622926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.811119 (E_RNA)
where:
Base-Base interactions energy: -133.799
where: short stacking energy: -65.973
Base-Backbone interact. energy: -0.014
local terms energy: -56.998052
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.685
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: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -189.070822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.070822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088944 (E_RNA)
where:
Base-Base interactions energy: -127.077
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.006
local terms energy: -62.006385
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -18.413
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: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -171.612651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.612651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.718126 (E_RNA)
where:
Base-Base interactions energy: -120.018
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.335
local terms energy: -51.365421
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -13.938
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: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -172.148133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.197554 (E_RNA)
where:
Base-Base interactions energy: -120.258
where: short stacking energy: -49.184
Base-Backbone interact. energy: 1.606
local terms energy: -53.545400
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -12.132
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: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -182.764411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.764411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.813807 (E_RNA)
where:
Base-Base interactions energy: -124.217
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.036
local terms energy: -58.560995
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -17.017
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: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -177.514836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.568412 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.240
local terms energy: -52.091452
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -12.715
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: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -174.714347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.714347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975370 (E_RNA)
where:
Base-Base interactions energy: -119.420
where: short stacking energy: -51.743
Base-Backbone interact. energy: -0.163
local terms energy: -55.392801
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -15.237
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: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -173.079964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.079964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.207529 (E_RNA)
where:
Base-Base interactions energy: -117.872
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.001
local terms energy: -55.333758
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -13.861
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: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -169.121811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.121811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.141738 (E_RNA)
where:
Base-Base interactions energy: -128.314
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.002
local terms energy: -40.824921
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -5.735
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.020 (S_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: -196.168730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.194418 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.000
local terms energy: -64.532235
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -17.334
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: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -193.778261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.778261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.795386 (E_RNA)
where:
Base-Base interactions energy: -139.311
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.000
local terms energy: -54.484010
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -14.859
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: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -189.893144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.893144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.899051 (E_RNA)
where:
Base-Base interactions energy: -128.705
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.795
local terms energy: -60.398780
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -13.130
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: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -187.836032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.836032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977488 (E_RNA)
where:
Base-Base interactions energy: -124.494
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.003
local terms energy: -63.481148
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -16.831
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: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -183.136752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.136752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.203407 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.014
local terms energy: -57.258752
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -11.622
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: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -173.215407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.215407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.363781 (E_RNA)
where:
Base-Base interactions energy: -125.315
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.255
local terms energy: -47.793978
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -6.223
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -12.176
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -173.091169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.114378 (E_RNA)
where:
Base-Base interactions energy: -118.460
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.000
local terms energy: -54.653665
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -15.558
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: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -176.405603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.405603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.450172 (E_RNA)
where:
Base-Base interactions energy: -121.564
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.008
local terms energy: -54.878004
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.453
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: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -172.054007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.054007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.118649 (E_RNA)
where:
Base-Base interactions energy: -117.417
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.009
local terms energy: -54.692481
where:
bonds (distance) C4'-P energy: -7.166
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -13.439
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: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -172.457887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.457887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.708040 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -53.554
Base-Backbone interact. energy: -0.104
local terms energy: -54.695179
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -12.784
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -196.700261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.700261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706185 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.001
local terms energy: -65.679308
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -17.136
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -192.235079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.235079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.268127 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.036
local terms energy: -56.840685
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -15.357
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -188.961992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.961992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.995537 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -54.217
Base-Backbone interact. energy: 0.200
local terms energy: -66.008846
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -15.970
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: 244
Temperature: 1.050000
Total energy: -183.536645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.741994 (E_RNA)
where:
Base-Base interactions energy: -122.080
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.431
local terms energy: -61.230735
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -15.540
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: 244
Temperature: 1.100000
Total energy: -181.315781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.315781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.370650 (E_RNA)
where:
Base-Base interactions energy: -126.423
where: short stacking energy: -56.618
Base-Backbone interact. energy: 0.464
local terms energy: -55.411395
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -14.107
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: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -179.396850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.396850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.399665 (E_RNA)
where:
Base-Base interactions energy: -126.708
where: short stacking energy: -54.835
Base-Backbone interact. energy: 0.038
local terms energy: -52.729882
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -13.321
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -174.066742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.200019 (E_RNA)
where:
Base-Base interactions energy: -124.053
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.002
local terms energy: -50.145418
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -13.457
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: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -173.609165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620418 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -52.232
Base-Backbone interact. energy: -0.009
local terms energy: -54.303790
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -12.272
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: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -166.812657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.812657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.812657 (E_RNA)
where:
Base-Base interactions energy: -120.664
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.002
local terms energy: -46.146385
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -161.313781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.313781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.405456 (E_RNA)
where:
Base-Base interactions energy: -111.688
where: short stacking energy: -49.338
Base-Backbone interact. energy: -0.140
local terms energy: -49.577706
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -13.252
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -192.309999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.309999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.350605 (E_RNA)
where:
Base-Base interactions energy: -125.942
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.067
local terms energy: -66.341453
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -18.145
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: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -194.502075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.502075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507117 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.002
local terms energy: -63.374239
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -14.108
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -191.310844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.310844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.310844 (E_RNA)
where:
Base-Base interactions energy: -128.444
where: short stacking energy: -55.601
Base-Backbone interact. energy: -0.045
local terms energy: -62.821398
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.553
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: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -180.131901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.131901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.181832 (E_RNA)
where:
Base-Base interactions energy: -121.841
where: short stacking energy: -54.528
Base-Backbone interact. energy: -0.006
local terms energy: -58.334464
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -14.672
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -181.904018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.904018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.955126 (E_RNA)
where:
Base-Base interactions energy: -121.247
where: short stacking energy: -58.812
Base-Backbone interact. energy: -0.001
local terms energy: -60.707740
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -15.219
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: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -184.987740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.140762 (E_RNA)
where:
Base-Base interactions energy: -127.877
where: short stacking energy: -58.289
Base-Backbone interact. energy: -0.019
local terms energy: -57.245179
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -17.817
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: 245
Temperature: 1.200000
Total energy: -165.581275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.581275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613864 (E_RNA)
where:
Base-Base interactions energy: -112.871
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.564
local terms energy: -52.178538
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -9.216
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: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -181.301849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.301849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.320448 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.001
local terms energy: -60.443434
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -15.006
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -166.395535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.395535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.443268 (E_RNA)
where:
Base-Base interactions energy: -115.807
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.013
local terms energy: -50.623484
where:
bonds (distance) C4'-P energy: -5.816
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -14.334
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: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -164.464925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.464925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.567782 (E_RNA)
where:
Base-Base interactions energy: -112.906
where: short stacking energy: -46.120
Base-Backbone interact. energy: -0.024
local terms energy: -51.637821
where:
bonds (distance) C4'-P energy: -7.001
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -11.957
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: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -185.160441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.160441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192532 (E_RNA)
where:
Base-Base interactions energy: -127.852
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.002
local terms energy: -57.338598
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -13.704
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: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -193.326780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.326780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.326780 (E_RNA)
where:
Base-Base interactions energy: -130.371
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.002
local terms energy: -62.953650
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -12.926
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: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -186.074816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.074816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156908 (E_RNA)
where:
Base-Base interactions energy: -126.875
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.001
local terms energy: -59.280858
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -15.991
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -181.165528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.165528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.236685 (E_RNA)
where:
Base-Base interactions energy: -125.329
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.049
local terms energy: -55.858156
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -7.354
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -13.720
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: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -186.998093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.998093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.059002 (E_RNA)
where:
Base-Base interactions energy: -127.900
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.000
local terms energy: -59.158953
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -16.449
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: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -179.515691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.515691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.622175 (E_RNA)
where:
Base-Base interactions energy: -120.728
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.003
local terms energy: -58.891302
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -16.990
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -186.227728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.227728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.235225 (E_RNA)
where:
Base-Base interactions energy: -128.398
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.057
local terms energy: -57.779498
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -10.926
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: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -168.708704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.708704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.815091 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -54.257
Base-Backbone interact. energy: -0.002
local terms energy: -46.790288
where:
bonds (distance) C4'-P energy: -2.925
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -11.170
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: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -166.387371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.387371 (E_RNA)
where:
Base-Base interactions energy: -111.636
where: short stacking energy: -47.245
Base-Backbone interact. energy: -0.001
local terms energy: -54.751092
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -163.346810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.346810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.389816 (E_RNA)
where:
Base-Base interactions energy: -111.519
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.001
local terms energy: -51.869288
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -10.180
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: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -194.271107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.271107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.331568 (E_RNA)
where:
Base-Base interactions energy: -133.940
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.003
local terms energy: -60.387982
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -14.303
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: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -196.076383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.076383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.148197 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.001
local terms energy: -64.931507
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -18.065
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: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -188.106376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.106376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.106376 (E_RNA)
where:
Base-Base interactions energy: -126.689
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.004
local terms energy: -61.412692
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -12.769
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -187.176270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.176270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.187264 (E_RNA)
where:
Base-Base interactions energy: -128.193
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.018
local terms energy: -58.975681
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -14.303
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -179.939175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.939175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.939175 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.104
local terms energy: -56.914215
where:
bonds (distance) C4'-P energy: -7.112
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -181.071340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.071340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.177003 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -51.539
Base-Backbone interact. energy: -0.050
local terms energy: -53.375657
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -11.661
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: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -174.297333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.297333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.458015 (E_RNA)
where:
Base-Base interactions energy: -122.771
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.013
local terms energy: -51.674471
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -14.669
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: 247
Temperature: 1.250000
Total energy: -173.716162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.716162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.829014 (E_RNA)
where:
Base-Base interactions energy: -120.847
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.164
local terms energy: -52.817895
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -13.246
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -169.422482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.422482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.507987 (E_RNA)
where:
Base-Base interactions energy: -118.618
where: short stacking energy: -50.023
Base-Backbone interact. energy: -0.060
local terms energy: -50.829658
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -11.613
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: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -163.040252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.062278 (E_RNA)
where:
Base-Base interactions energy: -114.055
where: short stacking energy: -40.670
Base-Backbone interact. energy: -0.860
local terms energy: -48.147538
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -10.874
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: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -194.450580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.450580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.502172 (E_RNA)
where:
Base-Base interactions energy: -133.428
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.003
local terms energy: -61.071745
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -13.262
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: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -193.230608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.230608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.231647 (E_RNA)
where:
Base-Base interactions energy: -129.679
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.020
local terms energy: -63.532608
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -17.360
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: 248
Temperature: 1.000000
Total energy: -189.420208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.420208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.437889 (E_RNA)
where:
Base-Base interactions energy: -133.085
where: short stacking energy: -62.365
Base-Backbone interact. energy: -0.034
local terms energy: -56.318866
where:
bonds (distance) C4'-P energy: -6.112
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -16.531
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -186.770648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.770648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.770648 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.022
local terms energy: -61.997937
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -17.052
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: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -177.129241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.129241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.232924 (E_RNA)
where:
Base-Base interactions energy: -118.719
where: short stacking energy: -55.205
Base-Backbone interact. energy: -0.239
local terms energy: -58.275342
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -15.456
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: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -181.224354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.233272 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -58.797
Base-Backbone interact. energy: 0.170
local terms energy: -56.023215
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -15.910
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: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -170.208071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.208071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.228104 (E_RNA)
where:
Base-Base interactions energy: -117.120
where: short stacking energy: -47.400
Base-Backbone interact. energy: 0.239
local terms energy: -53.347444
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. 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: -174.052564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.052564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.101462 (E_RNA)
where:
Base-Base interactions energy: -116.625
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.031
local terms energy: -57.444895
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -15.887
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: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -170.668659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.668659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.726399 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.069
local terms energy: -51.859765
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -11.862
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: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -162.266087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.266087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.309722 (E_RNA)
where:
Base-Base interactions energy: -109.843
where: short stacking energy: -49.714
Base-Backbone interact. energy: -0.000
local terms energy: -52.466452
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -12.048
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: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -191.762709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.779135 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.001
local terms energy: -61.177091
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -13.689
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: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -194.605495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.605495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.646766 (E_RNA)
where:
Base-Base interactions energy: -131.327
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.004
local terms energy: -63.315436
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -13.159
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -187.185857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.185857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.190824 (E_RNA)
where:
Base-Base interactions energy: -128.226
where: short stacking energy: -57.526
Base-Backbone interact. energy: 0.209
local terms energy: -59.173473
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -13.530
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: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -183.704311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.704311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108241 (E_RNA)
where:
Base-Base interactions energy: -124.378
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.004
local terms energy: -59.725553
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -15.613
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -184.905044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.905044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.962234 (E_RNA)
where:
Base-Base interactions energy: -123.750
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.006
local terms energy: -61.206966
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -14.919
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -177.173870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.193197 (E_RNA)
where:
Base-Base interactions energy: -128.278
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.101
local terms energy: -48.813570
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -7.247
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -13.009
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: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -175.022909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.022909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.076884 (E_RNA)
where:
Base-Base interactions energy: -126.604
where: short stacking energy: -57.251
Base-Backbone interact. energy: -0.477
local terms energy: -47.996169
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -10.036
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: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -169.911648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.911648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.958851 (E_RNA)
where:
Base-Base interactions energy: -120.341
where: short stacking energy: -51.276
Base-Backbone interact. energy: -0.523
local terms energy: -49.094347
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -8.169
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -11.715
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: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -169.472300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.472300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.628371 (E_RNA)
where:
Base-Base interactions energy: -120.263
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.304
local terms energy: -49.061140
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -11.283
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: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -153.153878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.685576 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.387
local terms energy: -50.500499
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -8.485
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -10.812
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: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -194.908020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.908020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.053059 (E_RNA)
where:
Base-Base interactions energy: -131.060
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.003
local terms energy: -63.989678
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.595
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -196.690467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.690467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.725222 (E_RNA)
where:
Base-Base interactions energy: -132.475
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.007
local terms energy: -64.243467
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -16.729
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -183.944366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.944366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.996209 (E_RNA)
where:
Base-Base interactions energy: -124.427
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.415
local terms energy: -59.154797
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -13.617
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: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -183.426560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.426560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.448786 (E_RNA)
where:
Base-Base interactions energy: -123.175
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.004
local terms energy: -60.270045
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -14.534
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: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -180.354189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.354189 (E_RNA)
where:
Base-Base interactions energy: -129.175
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.082
local terms energy: -51.097430
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -175.918517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.918517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.918517 (E_RNA)
where:
Base-Base interactions energy: -120.735
where: short stacking energy: -53.514
Base-Backbone interact. energy: -0.013
local terms energy: -55.170722
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -15.727
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: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -180.886996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.886996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.917379 (E_RNA)
where:
Base-Base interactions energy: -125.972
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.385
local terms energy: -54.559684
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -8.189
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -13.371
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: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -165.891604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.891604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.103323 (E_RNA)
where:
Base-Base interactions energy: -108.941
where: short stacking energy: -38.249
Base-Backbone interact. energy: -0.330
local terms energy: -56.831969
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -10.501
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -173.275657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.275657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324687 (E_RNA)
where:
Base-Base interactions energy: -126.730
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.001
local terms energy: -46.593729
where:
bonds (distance) C4'-P energy: -5.511
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -13.861
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: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -154.747011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.747011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.027569 (E_RNA)
where:
Base-Base interactions energy: -110.542
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.074
local terms energy: -44.412123
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -6.406
flat angles P-C4'-P energy: -3.566
tors. eta vs tors. theta energy: -13.007
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: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -193.884155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.884155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.064457 (E_RNA)
where:
Base-Base interactions energy: -133.946
where: short stacking energy: -64.461
Base-Backbone interact. energy: -0.447
local terms energy: -59.671687
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -17.827
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -185.437686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.437686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496141 (E_RNA)
where:
Base-Base interactions energy: -128.862
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.017
local terms energy: -56.616835
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -15.068
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: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -184.909095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.909095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.935634 (E_RNA)
where:
Base-Base interactions energy: -125.428
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.000
local terms energy: -59.507253
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -13.172
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: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -186.231308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.231308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.265658 (E_RNA)
where:
Base-Base interactions energy: -132.586
where: short stacking energy: -52.295
Base-Backbone interact. energy: 1.446
local terms energy: -55.125691
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.357
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: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -175.601104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.601104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.601104 (E_RNA)
where:
Base-Base interactions energy: -122.405
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.013
local terms energy: -53.184065
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -10.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -171.055717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.055717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.089507 (E_RNA)
where:
Base-Base interactions energy: -118.523
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.132
local terms energy: -52.434694
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -11.173
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: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -169.600612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.625655 (E_RNA)
where:
Base-Base interactions energy: -117.065
where: short stacking energy: -49.965
Base-Backbone interact. energy: -0.001
local terms energy: -52.559817
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -12.760
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: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -165.953820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.953820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.074160 (E_RNA)
where:
Base-Base interactions energy: -111.895
where: short stacking energy: -45.946
Base-Backbone interact. energy: -0.002
local terms energy: -54.177327
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -14.541
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: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -170.834913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.834913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.834913 (E_RNA)
where:
Base-Base interactions energy: -119.242
where: short stacking energy: -49.315
Base-Backbone interact. energy: -0.293
local terms energy: -51.299590
where:
bonds (distance) C4'-P energy: -6.331
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -174.839071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.011514 (E_RNA)
where:
Base-Base interactions energy: -116.954
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.506
local terms energy: -57.552134
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -13.434
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: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -191.605562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.670224 (E_RNA)
where:
Base-Base interactions energy: -129.973
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.003
local terms energy: -61.694204
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -17.225
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: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -192.894489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.894489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.954745 (E_RNA)
where:
Base-Base interactions energy: -128.842
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.004
local terms energy: -64.108092
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -13.661
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: 252
Temperature: 1.000000
Total energy: -196.126234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.134825 (E_RNA)
where:
Base-Base interactions energy: -140.402
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.476
local terms energy: -55.257457
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -11.281
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: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -185.983840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.983840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.061500 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -59.519
Base-Backbone interact. energy: -0.001
local terms energy: -59.938905
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -13.680
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: 252
Temperature: 1.100000
Total energy: -182.894324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.894324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.017607 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -55.158
Base-Backbone interact. energy: -0.547
local terms energy: -54.857998
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -14.402
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: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -182.947728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053763 (E_RNA)
where:
Base-Base interactions energy: -126.278
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.003
local terms energy: -56.773083
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -11.323
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: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -170.623815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.651943 (E_RNA)
where:
Base-Base interactions energy: -121.763
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.114
local terms energy: -48.775591
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -1.690
tors. eta vs tors. theta energy: -14.718
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -169.686228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.873675 (E_RNA)
where:
Base-Base interactions energy: -116.499
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.018
local terms energy: -53.356145
where:
bonds (distance) C4'-P energy: -6.744
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -11.666
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: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -168.950889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.950889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.074055 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -50.052
Base-Backbone interact. energy: -0.000
local terms energy: -51.688033
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -12.738
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: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -168.309336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.309336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.322448 (E_RNA)
where:
Base-Base interactions energy: -118.415
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.006
local terms energy: -49.901172
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -12.338
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: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -192.598373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.652884 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.042
local terms energy: -60.250439
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -14.536
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: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -193.494740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.494740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.527451 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.195
local terms energy: -53.946989
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -12.063
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: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -193.934660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.934660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.934660 (E_RNA)
where:
Base-Base interactions energy: -131.668
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.001
local terms energy: -62.265081
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -18.000
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -189.561409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.561409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.596390 (E_RNA)
where:
Base-Base interactions energy: -131.440
where: short stacking energy: -51.190
Base-Backbone interact. energy: -0.511
local terms energy: -57.646105
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -11.343
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -183.007991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.007991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.008785 (E_RNA)
where:
Base-Base interactions energy: -127.802
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.003
local terms energy: -55.204014
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -12.958
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: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -179.826741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.826741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.842881 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -48.195
Base-Backbone interact. energy: -0.074
local terms energy: -55.528038
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -6.663
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -15.226
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: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -175.879954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.879954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.905108 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.324
local terms energy: -48.953837
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -12.727
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -172.475589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.475589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.576235 (E_RNA)
where:
Base-Base interactions energy: -119.074
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.040
local terms energy: -53.462887
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -7.109
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.943
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: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -173.227362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.227362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.227362 (E_RNA)
where:
Base-Base interactions energy: -118.113
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.262
local terms energy: -54.852483
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -160.333103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.493797 (E_RNA)
where:
Base-Base interactions energy: -118.089
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.079
local terms energy: -42.326130
where:
bonds (distance) C4'-P energy: -6.040
bonds (distance) P-C4' energy: -3.267
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -13.467
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: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -193.646334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.646334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.654957 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.004
local terms energy: -62.481292
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -16.445
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: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -191.444414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.444414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.527887 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -53.167
Base-Backbone interact. energy: 0.035
local terms energy: -53.651065
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -11.389
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: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -188.239324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.239324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.239324 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.981
local terms energy: -52.789660
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -11.558
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: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -187.326860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.326860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.331381 (E_RNA)
where:
Base-Base interactions energy: -130.750
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.002
local terms energy: -56.579529
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -16.079
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: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -177.455612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.455612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.466325 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -58.989
Base-Backbone interact. energy: -0.005
local terms energy: -51.358344
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -11.329
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -179.450787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.488391 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.100
local terms energy: -54.615575
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -13.386
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: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -181.930346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930486 (E_RNA)
where:
Base-Base interactions energy: -128.109
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.063
local terms energy: -53.758350
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -175.838987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.838987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.863456 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.010
local terms energy: -54.569091
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -14.715
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: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -166.183545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.183545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.356175 (E_RNA)
where:
Base-Base interactions energy: -120.031
where: short stacking energy: -58.011
Base-Backbone interact. energy: -0.001
local terms energy: -46.325102
where:
bonds (distance) C4'-P energy: -6.814
bonds (distance) P-C4' energy: -8.083
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -10.668
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: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -169.542418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.542418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.602961 (E_RNA)
where:
Base-Base interactions energy: -116.752
where: short stacking energy: -52.670
Base-Backbone interact. energy: 0.946
local terms energy: -53.796399
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -13.475
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: 1, replica: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -199.011056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.011056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.051967 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.146
local terms energy: -63.588067
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.906
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -189.207221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.306081 (E_RNA)
where:
Base-Base interactions energy: -132.368
where: short stacking energy: -53.251
Base-Backbone interact. energy: -0.124
local terms energy: -56.813631
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.100
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: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -188.395179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.395179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625658 (E_RNA)
where:
Base-Base interactions energy: -127.888
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.015
local terms energy: -60.722910
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -15.112
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -179.517477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.603079 (E_RNA)
where:
Base-Base interactions energy: -122.008
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.004
local terms energy: -57.591223
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -13.568
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: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -183.654850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.654850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.691718 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -52.822
Base-Backbone interact. energy: -0.002
local terms energy: -59.080224
where:
bonds (distance) C4'-P energy: -7.796
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -17.289
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: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -174.745650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.745650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.745650 (E_RNA)
where:
Base-Base interactions energy: -118.633
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.236
local terms energy: -55.876514
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -13.449
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: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -178.658857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.658857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.826591 (E_RNA)
where:
Base-Base interactions energy: -123.510
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.131
local terms energy: -55.185780
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -13.946
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -162.800801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.800801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.849105 (E_RNA)
where:
Base-Base interactions energy: -115.335
where: short stacking energy: -44.517
Base-Backbone interact. energy: 0.286
local terms energy: -47.799595
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -9.543
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: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -174.834968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.834968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.897269 (E_RNA)
where:
Base-Base interactions energy: -122.896
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.182
local terms energy: -51.818904
where:
bonds (distance) C4'-P energy: -6.831
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -13.955
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: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -162.078319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.078319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.212407 (E_RNA)
where:
Base-Base interactions energy: -112.662
where: short stacking energy: -46.505
Base-Backbone interact. energy: -0.668
local terms energy: -48.882233
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -10.378
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: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -191.895581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.895581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.895581 (E_RNA)
where:
Base-Base interactions energy: -129.288
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.497
local terms energy: -62.110640
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -15.197
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -193.052105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.052105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.268665 (E_RNA)
where:
Base-Base interactions energy: -132.285
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.076
local terms energy: -60.907254
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -14.880
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: 256
Temperature: 1.000000
Total energy: -185.786510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.786510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.844002 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.092
local terms energy: -56.475645
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -14.959
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: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -188.288659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.288659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.409022 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.016
local terms energy: -58.668672
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -12.257
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: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -181.187422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.217004 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.017
local terms energy: -56.280113
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -16.241
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: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -179.111233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.111233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.175420 (E_RNA)
where:
Base-Base interactions energy: -120.727
where: short stacking energy: -52.895
Base-Backbone interact. energy: -0.052
local terms energy: -58.396779
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -12.361
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: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -176.867306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.867306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.904412 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.001
local terms energy: -55.701150
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -7.987
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.025
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: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -165.720457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.720457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847692 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.002
local terms energy: -48.341343
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -10.742
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: 256
Temperature: 1.300000
Total energy: -158.163543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.163543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266363 (E_RNA)
where:
Base-Base interactions energy: -105.249
where: short stacking energy: -40.597
Base-Backbone interact. energy: -0.340
local terms energy: -52.676584
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -9.482
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: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -166.815730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.815730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.815730 (E_RNA)
where:
Base-Base interactions energy: -119.005
where: short stacking energy: -52.805
Base-Backbone interact. energy: -0.006
local terms energy: -47.804913
where:
bonds (distance) C4'-P energy: -6.331
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -191.241818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.424980 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.015
local terms energy: -62.284888
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -17.066
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: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -200.452133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.480878 (E_RNA)
where:
Base-Base interactions energy: -135.022
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.007
local terms energy: -65.452077
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.365
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: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -190.954064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.954064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.027609 (E_RNA)
where:
Base-Base interactions energy: -128.131
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.007
local terms energy: -62.889862
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -14.875
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -190.568473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.602618 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.003
local terms energy: -61.397682
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -14.790
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: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -182.518233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.518233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.518233 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.011
local terms energy: -57.568915
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -184.536757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.536757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.579595 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.003
local terms energy: -56.009144
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -14.544
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: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -172.175313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.175313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.262775 (E_RNA)
where:
Base-Base interactions energy: -118.736
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.028
local terms energy: -53.499434
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -14.672
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: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -174.319364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.319364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.455998 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.788
local terms energy: -50.970654
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -6.121
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -12.487
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: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -160.162714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.162714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.208861 (E_RNA)
where:
Base-Base interactions energy: -113.497
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.007
local terms energy: -46.704899
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -11.096
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: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -167.434216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.434216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.434216 (E_RNA)
where:
Base-Base interactions energy: -117.409
where: short stacking energy: -47.674
Base-Backbone interact. energy: 0.158
local terms energy: -50.182998
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -193.843684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.843684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.867848 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.000
local terms energy: -62.250490
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -15.821
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: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -187.278475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.563854 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.000
local terms energy: -55.762408
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -15.488
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: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -187.882128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.882128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.124379 (E_RNA)
where:
Base-Base interactions energy: -131.393
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.030
local terms energy: -56.701727
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -14.836
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: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -188.293857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.293857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.307535 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.000
local terms energy: -62.002163
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -15.164
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: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -179.426700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.451927 (E_RNA)
where:
Base-Base interactions energy: -124.973
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.429
local terms energy: -54.050306
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.176
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: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -180.709086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.709086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.745701 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -55.968
Base-Backbone interact. energy: -0.015
local terms energy: -60.078391
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -16.990
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -180.268454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.268454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.291138 (E_RNA)
where:
Base-Base interactions energy: -125.405
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.103
local terms energy: -54.783098
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -12.257
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: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -173.081237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.081237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136097 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -55.091
Base-Backbone interact. energy: 0.086
local terms energy: -51.699784
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -14.534
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: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -162.356176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.356176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.430099 (E_RNA)
where:
Base-Base interactions energy: -110.060
where: short stacking energy: -44.475
Base-Backbone interact. energy: 0.211
local terms energy: -52.581441
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -10.599
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: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -156.025935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.140719 (E_RNA)
where:
Base-Base interactions energy: -110.580
where: short stacking energy: -49.252
Base-Backbone interact. energy: -0.002
local terms energy: -45.559172
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -0.746
tors. eta vs tors. theta energy: -14.682
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: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -193.726326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.726326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.041173 (E_RNA)
where:
Base-Base interactions energy: -129.437
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.000
local terms energy: -64.603263
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -18.133
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: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -191.256845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.256845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.332464 (E_RNA)
where:
Base-Base interactions energy: -128.175
where: short stacking energy: -59.232
Base-Backbone interact. energy: 0.408
local terms energy: -63.565938
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -16.599
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -188.905527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.910556 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.001
local terms energy: -58.279893
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -15.547
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: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -182.129086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.129086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.220448 (E_RNA)
where:
Base-Base interactions energy: -124.525
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.002
local terms energy: -57.693728
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -13.686
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -181.177799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.177799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.309992 (E_RNA)
where:
Base-Base interactions energy: -123.143
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.012
local terms energy: -58.154804
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -15.895
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: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -180.906700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.906700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.946099 (E_RNA)
where:
Base-Base interactions energy: -123.836
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.001
local terms energy: -57.108853
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -13.311
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: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -174.914687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.914687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.914687 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.227
local terms energy: -52.731682
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -4.186
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -171.058910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.058910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.125379 (E_RNA)
where:
Base-Base interactions energy: -116.437
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.035
local terms energy: -54.653430
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -11.806
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: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -165.278784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.278784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.278784 (E_RNA)
where:
Base-Base interactions energy: -125.935
where: short stacking energy: -50.046
Base-Backbone interact. energy: 1.197
local terms energy: -40.540656
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -166.899798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.899798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936315 (E_RNA)
where:
Base-Base interactions energy: -118.655
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.006
local terms energy: -48.275265
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -11.546
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: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -194.751481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.751481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907557 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.011
local terms energy: -66.227563
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -17.900
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -191.990387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.990387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.007188 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.074
local terms energy: -65.001349
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -16.660
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: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -193.289576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.303504 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.017
local terms energy: -62.293762
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.926
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: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -192.102329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.102329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.196645 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.007
local terms energy: -64.480510
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -16.645
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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -172.826372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.826372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.860501 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.001
local terms energy: -56.595157
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -13.207
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: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -175.077938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.077938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.089464 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -54.987
Base-Backbone interact. energy: -0.046
local terms energy: -49.293057
where:
bonds (distance) C4'-P energy: -6.574
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -7.443
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -13.887
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: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -172.743468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.743468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.904564 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.008
local terms energy: -52.720802
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -11.738
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: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -183.834343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.834343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.834343 (E_RNA)
where:
Base-Base interactions energy: -125.965
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.001
local terms energy: -57.868783
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -172.128132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.231813 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -58.096
Base-Backbone interact. energy: 2.940
local terms energy: -53.770188
where:
bonds (distance) C4'-P energy: -6.785
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -15.438
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -163.938624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.938624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.137548 (E_RNA)
where:
Base-Base interactions energy: -118.496
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.195
local terms energy: -45.446226
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -5.801
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -193.426541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.426541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445755 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.004
local terms energy: -56.188214
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -13.827
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: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -187.324674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.324674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.329860 (E_RNA)
where:
Base-Base interactions energy: -128.086
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.009
local terms energy: -59.234279
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -15.831
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -189.037499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.037499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146727 (E_RNA)
where:
Base-Base interactions energy: -126.824
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.057
local terms energy: -62.265491
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -16.066
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: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -186.625395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.625395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.702708 (E_RNA)
where:
Base-Base interactions energy: -131.545
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.022
local terms energy: -55.135756
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -16.694
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -181.149985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.524560 (E_RNA)
where:
Base-Base interactions energy: -123.269
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.003
local terms energy: -58.252509
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -15.805
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: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -182.593856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.593856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.610920 (E_RNA)
where:
Base-Base interactions energy: -133.504
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.571
local terms energy: -48.535570
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -11.779
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: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -163.943273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.070487 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.001
local terms energy: -45.938900
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -12.781
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: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -171.485388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.485388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.508698 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.216
local terms energy: -49.242831
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -14.973
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: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -175.416802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.416802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.468012 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.144
local terms energy: -52.243364
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -12.380
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: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -163.836913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.836913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.962998 (E_RNA)
where:
Base-Base interactions energy: -108.371
where: short stacking energy: -51.479
Base-Backbone interact. energy: -0.003
local terms energy: -55.589519
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -15.624
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: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -196.365934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.365934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.446134 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.014
local terms energy: -61.277286
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -18.358
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: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -197.161258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.161258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.173797 (E_RNA)
where:
Base-Base interactions energy: -134.386
where: short stacking energy: -63.667
Base-Backbone interact. energy: 0.164
local terms energy: -62.951050
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -15.775
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: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -193.880208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.880208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.880208 (E_RNA)
where:
Base-Base interactions energy: -129.812
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.010
local terms energy: -64.058354
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -17.201
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: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -185.145278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.145278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.295538 (E_RNA)
where:
Base-Base interactions energy: -125.648
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.004
local terms energy: -59.644080
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -14.419
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: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -181.275321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.275321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.308730 (E_RNA)
where:
Base-Base interactions energy: -122.662
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.241
local terms energy: -58.406397
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.800
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: 262
Temperature: 1.150000
Total energy: -179.660873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.660873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.789098 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.002
local terms energy: -55.954353
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -0.783
tors. eta vs tors. theta energy: -16.132
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: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -168.750655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.750655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.899102 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -46.933
Base-Backbone interact. energy: -0.028
local terms energy: -57.687217
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -10.138
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: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -165.089246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.089246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.144130 (E_RNA)
where:
Base-Base interactions energy: -113.673
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.131
local terms energy: -51.340258
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -9.833
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: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -163.546538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.546538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.682910 (E_RNA)
where:
Base-Base interactions energy: -111.030
where: short stacking energy: -45.240
Base-Backbone interact. energy: -0.108
local terms energy: -52.544067
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -9.297
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: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -171.774642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.774642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.935104 (E_RNA)
where:
Base-Base interactions energy: -126.552
where: short stacking energy: -52.845
Base-Backbone interact. energy: 0.016
local terms energy: -45.399348
where:
bonds (distance) C4'-P energy: -5.545
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -13.256
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: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -198.291837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.291837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.315427 (E_RNA)
where:
Base-Base interactions energy: -130.983
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.022
local terms energy: -67.310639
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -17.121
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: 263
Temperature: 0.950000
Total energy: -192.724267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.724267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.873349 (E_RNA)
where:
Base-Base interactions energy: -131.621
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.049
local terms energy: -61.202785
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -16.638
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: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -186.236379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.236379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.266944 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.003
local terms energy: -55.720023
where:
bonds (distance) C4'-P energy: -7.437
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -16.029
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -183.117349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.117349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152698 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.015
local terms energy: -56.723014
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -13.696
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -178.317023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.317023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.441644 (E_RNA)
where:
Base-Base interactions energy: -124.348
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.021
local terms energy: -54.072577
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -12.570
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: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -181.579723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.690131 (E_RNA)
where:
Base-Base interactions energy: -122.483
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.027
local terms energy: -59.180363
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -16.332
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -175.779823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.779823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.113559 (E_RNA)
where:
Base-Base interactions energy: -119.896
where: short stacking energy: -55.948
Base-Backbone interact. energy: 0.032
local terms energy: -56.249917
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -14.194
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -169.963657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.963657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.984150 (E_RNA)
where:
Base-Base interactions energy: -109.534
where: short stacking energy: -43.681
Base-Backbone interact. energy: -0.015
local terms energy: -60.434985
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.020 (S_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: 263
Temperature: 1.300000
Total energy: -171.446963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.446963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.459174 (E_RNA)
where:
Base-Base interactions energy: -121.337
where: short stacking energy: -49.031
Base-Backbone interact. energy: -0.111
local terms energy: -50.010457
where:
bonds (distance) C4'-P energy: -4.836
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -11.523
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: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -159.096099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.096099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.675665 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -45.095
Base-Backbone interact. energy: -0.222
local terms energy: -53.618277
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -13.176
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: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -193.998426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.998426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.044933 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.303
local terms energy: -59.174366
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -17.297
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: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -193.051206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.051206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.059578 (E_RNA)
where:
Base-Base interactions energy: -131.569
where: short stacking energy: -62.297
Base-Backbone interact. energy: -0.000
local terms energy: -61.490286
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -16.072
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: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -189.348976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.348976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.348976 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.083
local terms energy: -57.808835
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -14.407
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: 264
Temperature: 1.050000
Total energy: -193.579302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.579302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.621760 (E_RNA)
where:
Base-Base interactions energy: -133.066
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.004
local terms energy: -60.551695
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -16.350
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: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -179.513928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.537548 (E_RNA)
where:
Base-Base interactions energy: -121.626
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.000
local terms energy: -57.911705
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -12.840
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: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -172.935758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.935758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.958130 (E_RNA)
where:
Base-Base interactions energy: -115.648
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.006
local terms energy: -57.304991
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -13.329
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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -179.179258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.179258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.196764 (E_RNA)
where:
Base-Base interactions energy: -122.872
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.000
local terms energy: -56.324969
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -15.813
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: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -170.623096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.623096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.631586 (E_RNA)
where:
Base-Base interactions energy: -117.448
where: short stacking energy: -50.251
Base-Backbone interact. energy: -0.416
local terms energy: -52.767407
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -14.626
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: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -167.871595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.871595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.891165 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.735
local terms energy: -48.580885
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -5.253
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -167.290104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.290104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.336368 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.030
local terms energy: -48.637729
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -7.928
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -10.166
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: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -193.737829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.751834 (E_RNA)
where:
Base-Base interactions energy: -131.688
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.002
local terms energy: -62.061770
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -17.486
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: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -197.460804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.460804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.460804 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.000
local terms energy: -57.846261
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -16.016
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: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -186.399982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.399982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.403470 (E_RNA)
where:
Base-Base interactions energy: -128.490
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.004
local terms energy: -57.910135
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -12.709
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: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -187.049093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.049093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.116622 (E_RNA)
where:
Base-Base interactions energy: -128.381
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.011
local terms energy: -58.725391
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -16.302
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -185.971593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.971593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.990889 (E_RNA)
where:
Base-Base interactions energy: -126.083
where: short stacking energy: -57.835
Base-Backbone interact. energy: -0.028
local terms energy: -59.880360
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -16.152
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: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -187.322328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.322328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.344168 (E_RNA)
where:
Base-Base interactions energy: -128.505
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.000
local terms energy: -58.839361
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -14.755
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -180.277477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.277477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.542653 (E_RNA)
where:
Base-Base interactions energy: -124.081
where: short stacking energy: -51.115
Base-Backbone interact. energy: -0.025
local terms energy: -56.437299
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -12.618
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: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -162.117328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.117328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.289690 (E_RNA)
where:
Base-Base interactions energy: -115.142
where: short stacking energy: -48.870
Base-Backbone interact. energy: -0.149
local terms energy: -46.998871
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -10.060
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: 265
Temperature: 1.300000
Total energy: -164.164558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.164558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.229137 (E_RNA)
where:
Base-Base interactions energy: -114.237
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.000
local terms energy: -49.992138
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -7.839
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -11.540
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: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -160.448679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.448679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.450173 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -44.280
Base-Backbone interact. energy: -0.016
local terms energy: -45.637861
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -10.075
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: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -192.179620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.179620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.246818 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -60.665
Base-Backbone interact. energy: 0.169
local terms energy: -61.367765
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -14.878
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: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -188.398788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.398788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448415 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.001
local terms energy: -54.894532
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -13.623
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: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -185.859325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.859325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.024421 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.153
local terms energy: -55.341750
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -14.263
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: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -183.915636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.915636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986469 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.004
local terms energy: -59.195157
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -16.668
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -183.149257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.265700 (E_RNA)
where:
Base-Base interactions energy: -125.671
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.011
local terms energy: -57.583206
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -13.862
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -173.461213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.461213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.550537 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.228
local terms energy: -54.703050
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -12.739
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: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -166.675973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.675973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.875955 (E_RNA)
where:
Base-Base interactions energy: -112.692
where: short stacking energy: -48.914
Base-Backbone interact. energy: -0.011
local terms energy: -54.172623
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.613
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -172.397378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.397378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.427246 (E_RNA)
where:
Base-Base interactions energy: -124.995
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.000
local terms energy: -47.431532
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -1.708
tors. eta vs tors. theta energy: -15.603
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -168.223927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.223927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.259378 (E_RNA)
where:
Base-Base interactions energy: -115.253
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.685
local terms energy: -52.321160
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.640
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: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -161.989131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.989131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.992154 (E_RNA)
where:
Base-Base interactions energy: -111.365
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.028
local terms energy: -50.598399
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -11.825
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: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -191.884582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.884582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.899022 (E_RNA)
where:
Base-Base interactions energy: -126.268
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.016
local terms energy: -65.614833
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -14.168
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: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -196.584335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.584335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.591570 (E_RNA)
where:
Base-Base interactions energy: -135.829
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.025
local terms energy: -60.738211
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -15.396
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: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -183.342656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.342656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.509618 (E_RNA)
where:
Base-Base interactions energy: -125.691
where: short stacking energy: -59.589
Base-Backbone interact. energy: -0.083
local terms energy: -57.735222
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -11.674
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: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -193.172799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.172799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.230339 (E_RNA)
where:
Base-Base interactions energy: -133.316
where: short stacking energy: -60.593
Base-Backbone interact. energy: -0.577
local terms energy: -59.336953
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -14.237
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: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -178.826492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.826492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.321732 (E_RNA)
where:
Base-Base interactions energy: -118.935
where: short stacking energy: -57.581
Base-Backbone interact. energy: 0.608
local terms energy: -60.995005
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.059
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: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -178.521078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.521078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.681816 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.002
local terms energy: -59.736341
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -15.792
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: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -176.664220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.664220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.767932 (E_RNA)
where:
Base-Base interactions energy: -122.208
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.001
local terms energy: -54.559247
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -13.779
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: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -172.749489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.749489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.882343 (E_RNA)
where:
Base-Base interactions energy: -120.655
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.021
local terms energy: -52.206670
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -12.820
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: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -170.183037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.183037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.481040 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.000
local terms energy: -53.053153
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -13.898
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: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -164.961407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.961407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.961407 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -46.928
Base-Backbone interact. energy: -0.086
local terms energy: -53.890305
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -197.484040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.484040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564298 (E_RNA)
where:
Base-Base interactions energy: -129.132
where: short stacking energy: -63.255
Base-Backbone interact. energy: -0.466
local terms energy: -67.966307
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -16.352
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: 268
Temperature: 0.950000
Total energy: -190.206533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.206533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.218013 (E_RNA)
where:
Base-Base interactions energy: -130.771
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.000
local terms energy: -59.447185
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -14.692
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: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -188.473923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.473923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.484961 (E_RNA)
where:
Base-Base interactions energy: -126.745
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.042
local terms energy: -61.697919
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.420
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: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -183.634410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.634410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.652410 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -59.622
Base-Backbone interact. energy: 0.478
local terms energy: -58.007138
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -13.941
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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -177.137251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.137251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.137251 (E_RNA)
where:
Base-Base interactions energy: -123.202
where: short stacking energy: -52.654
Base-Backbone interact. energy: -0.002
local terms energy: -53.932921
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -180.089827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.089827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.378041 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.000
local terms energy: -54.298194
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -12.135
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: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -172.185695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.185695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.548299 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.031
local terms energy: -47.032500
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -13.112
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: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -168.147278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.147278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.167182 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.060
local terms energy: -49.399238
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -173.878480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.878480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.955530 (E_RNA)
where:
Base-Base interactions energy: -114.687
where: short stacking energy: -49.346
Base-Backbone interact. energy: -0.015
local terms energy: -59.252783
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -12.045
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: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -173.308542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.370171 (E_RNA)
where:
Base-Base interactions energy: -116.213
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.030
local terms energy: -57.127659
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -17.202
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -194.117319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.321554 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.082
local terms energy: -57.638188
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -14.549
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: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -189.048593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.048593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.186945 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.019
local terms energy: -61.371490
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -15.519
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: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -188.405540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.405540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.502094 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -58.643
Base-Backbone interact. energy: -0.001
local terms energy: -60.345750
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -14.545
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: 269
Temperature: 1.050000
Total energy: -183.023088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.023088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023088 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.115
local terms energy: -55.758955
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -14.941
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: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -179.472239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.472239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.550326 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.634
local terms energy: -52.197723
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -14.965
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: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -178.126511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.126511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.127020 (E_RNA)
where:
Base-Base interactions energy: -121.058
where: short stacking energy: -50.782
Base-Backbone interact. energy: -0.294
local terms energy: -56.775143
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -14.694
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: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -179.660800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.720054 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.238
local terms energy: -59.071563
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -17.268
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: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -166.976293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.976293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.177690 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -50.962
Base-Backbone interact. energy: -0.012
local terms energy: -51.503706
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -10.697
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: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -158.718241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.718241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.805607 (E_RNA)
where:
Base-Base interactions energy: -110.805
where: short stacking energy: -43.560
Base-Backbone interact. energy: -0.177
local terms energy: -47.824233
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -13.757
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: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -162.061462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.061462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.140446 (E_RNA)
where:
Base-Base interactions energy: -108.602
where: short stacking energy: -44.980
Base-Backbone interact. energy: -0.016
local terms energy: -53.521832
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -12.290
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: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -189.006754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.006754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.141381 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -60.026
Base-Backbone interact. energy: -0.099
local terms energy: -57.870613
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -13.577
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: 270
Temperature: 0.950000
Total energy: -190.838991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.838991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.838991 (E_RNA)
where:
Base-Base interactions energy: -134.263
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.019
local terms energy: -56.556570
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -17.951
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: 270
Temperature: 1.000000
Total energy: -195.230653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.230653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.232490 (E_RNA)
where:
Base-Base interactions energy: -132.634
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.005
local terms energy: -62.593342
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -191.706651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.706651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.809999 (E_RNA)
where:
Base-Base interactions energy: -133.430
where: short stacking energy: -63.682
Base-Backbone interact. energy: -0.018
local terms energy: -58.361738
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -16.152
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -178.796900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.796900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.796900 (E_RNA)
where:
Base-Base interactions energy: -125.893
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.139
local terms energy: -52.764988
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -174.804173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.804173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.865320 (E_RNA)
where:
Base-Base interactions energy: -119.359
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.035
local terms energy: -55.471216
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -11.465
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: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -158.559052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.559052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.783082 (E_RNA)
where:
Base-Base interactions energy: -111.655
where: short stacking energy: -47.800
Base-Backbone interact. energy: -0.290
local terms energy: -46.837801
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -7.034
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: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -163.345408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.345408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.398336 (E_RNA)
where:
Base-Base interactions energy: -110.645
where: short stacking energy: -48.316
Base-Backbone interact. energy: -0.000
local terms energy: -52.752508
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -11.403
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: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -162.468791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.468791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.518633 (E_RNA)
where:
Base-Base interactions energy: -112.616
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.599
local terms energy: -49.304193
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -9.973
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: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -163.786356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.786356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.030091 (E_RNA)
where:
Base-Base interactions energy: -117.588
where: short stacking energy: -55.536
Base-Backbone interact. energy: -0.003
local terms energy: -46.439570
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: -15.938
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: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -187.799043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.799043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.799043 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.002
local terms energy: -61.545956
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -14.979
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: 271
Temperature: 0.950000
Total energy: -191.404336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.404336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404336 (E_RNA)
where:
Base-Base interactions energy: -130.741
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.004
local terms energy: -60.659017
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -14.728
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: 271
Temperature: 1.000000
Total energy: -182.820300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.820300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.820300 (E_RNA)
where:
Base-Base interactions energy: -122.957
where: short stacking energy: -54.066
Base-Backbone interact. energy: -0.685
local terms energy: -59.177663
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -13.282
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: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -183.661295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.661295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.671501 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -49.460
Base-Backbone interact. energy: -0.262
local terms energy: -49.626574
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -8.338
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -10.697
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: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -184.539803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.539803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.553716 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.068
local terms energy: -59.434808
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -15.292
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: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -188.376699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.376699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478208 (E_RNA)
where:
Base-Base interactions energy: -134.594
where: short stacking energy: -54.907
Base-Backbone interact. energy: -0.679
local terms energy: -53.204373
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -7.033
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -12.911
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: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -163.631987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.631987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.646498 (E_RNA)
where:
Base-Base interactions energy: -118.668
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.195
local terms energy: -44.783073
where:
bonds (distance) C4'-P energy: -6.525
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -11.720
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -183.732099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.732099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.738020 (E_RNA)
where:
Base-Base interactions energy: -123.957
where: short stacking energy: -54.396
Base-Backbone interact. energy: -0.241
local terms energy: -59.539775
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -15.621
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: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -173.116145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.116145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.163886 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -52.114
Base-Backbone interact. energy: -0.001
local terms energy: -58.328238
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -13.901
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: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -163.698950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.698950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.778744 (E_RNA)
where:
Base-Base interactions energy: -111.937
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.034
local terms energy: -51.807610
where:
bonds (distance) C4'-P energy: -7.867
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -13.797
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: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -194.605147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.605147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.637108 (E_RNA)
where:
Base-Base interactions energy: -135.557
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.007
local terms energy: -59.072470
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -16.448
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: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -185.571776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571776 (E_RNA)
where:
Base-Base interactions energy: -126.420
where: short stacking energy: -56.674
Base-Backbone interact. energy: -0.001
local terms energy: -59.150942
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -13.668
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: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -188.312835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.312835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.430359 (E_RNA)
where:
Base-Base interactions energy: -133.204
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.384
local terms energy: -54.842140
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -12.571
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -197.692804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.692804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.705141 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.115
local terms energy: -61.204068
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -16.628
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: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -186.017554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.017554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.017554 (E_RNA)
where:
Base-Base interactions energy: -132.601
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.196
local terms energy: -53.220631
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -179.064835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.064835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078171 (E_RNA)
where:
Base-Base interactions energy: -122.726
where: short stacking energy: -52.531
Base-Backbone interact. energy: 0.545
local terms energy: -56.896813
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.367
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: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -169.732151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.732151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.812727 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.487
local terms energy: -53.466832
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -13.828
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: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -169.143615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.330343 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -48.180
Base-Backbone interact. energy: -0.089
local terms energy: -55.719568
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -8.236
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -172.820351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.859344 (E_RNA)
where:
Base-Base interactions energy: -122.738
where: short stacking energy: -57.339
Base-Backbone interact. energy: -0.001
local terms energy: -50.120192
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -13.625
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: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -158.161867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.161867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.182004 (E_RNA)
where:
Base-Base interactions energy: -111.908
where: short stacking energy: -43.043
Base-Backbone interact. energy: -0.037
local terms energy: -46.237061
where:
bonds (distance) C4'-P energy: -4.925
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -196.200544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.200544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.209433 (E_RNA)
where:
Base-Base interactions energy: -132.409
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.000
local terms energy: -63.799806
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -15.884
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: 273
Temperature: 0.950000
Total energy: -190.080055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.080055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.092419 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -52.263
Base-Backbone interact. energy: -0.121
local terms energy: -60.191146
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -12.612
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: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -185.705236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.705236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.780190 (E_RNA)
where:
Base-Base interactions energy: -123.175
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.037
local terms energy: -62.568179
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -13.207
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -185.001090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.001090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.050502 (E_RNA)
where:
Base-Base interactions energy: -127.476
where: short stacking energy: -54.281
Base-Backbone interact. energy: -0.419
local terms energy: -57.155545
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -12.664
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: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -182.794675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.794675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.848020 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -55.854
Base-Backbone interact. energy: -0.000
local terms energy: -60.079187
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -14.599
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: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -172.715094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.715094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.738502 (E_RNA)
where:
Base-Base interactions energy: -116.899
where: short stacking energy: -49.247
Base-Backbone interact. energy: -0.001
local terms energy: -55.837968
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.167
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -187.442075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.442075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.442075 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.047
local terms energy: -59.258420
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -172.313350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.313350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.371192 (E_RNA)
where:
Base-Base interactions energy: -117.782
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.129
local terms energy: -54.460987
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -13.106
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -171.247393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.300257 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.165
local terms energy: -48.391192
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -10.732
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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -166.992784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.992784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.132774 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.661
local terms energy: -49.078289
where:
bonds (distance) C4'-P energy: -7.319
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -13.311
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: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -190.902594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.902594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.922359 (E_RNA)
where:
Base-Base interactions energy: -135.477
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.005
local terms energy: -55.440215
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -188.446723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.446723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.560719 (E_RNA)
where:
Base-Base interactions energy: -126.747
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.008
local terms energy: -61.805215
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.393
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: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -192.181026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.181026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.234577 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -59.741
Base-Backbone interact. energy: -0.000
local terms energy: -62.225433
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -15.805
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -179.012618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.012618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021294 (E_RNA)
where:
Base-Base interactions energy: -128.453
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.000
local terms energy: -50.568086
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -10.064
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: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -182.706995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.706995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.797448 (E_RNA)
where:
Base-Base interactions energy: -126.048
where: short stacking energy: -53.491
Base-Backbone interact. energy: -0.022
local terms energy: -56.727783
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -13.836
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: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -178.338204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.338204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.736853 (E_RNA)
where:
Base-Base interactions energy: -128.212
where: short stacking energy: -54.202
Base-Backbone interact. energy: 2.139
local terms energy: -52.664384
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -12.129
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -177.728262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.728262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731261 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.011
local terms energy: -54.476656
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -13.811
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: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -171.354987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.354987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.379973 (E_RNA)
where:
Base-Base interactions energy: -119.891
where: short stacking energy: -42.630
Base-Backbone interact. energy: -0.069
local terms energy: -51.420359
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -9.812
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: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -166.798872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.916782 (E_RNA)
where:
Base-Base interactions energy: -116.873
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.093
local terms energy: -49.950654
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -10.620
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: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -162.236803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.236803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.417301 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.003
local terms energy: -53.575276
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -12.987
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: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -189.543036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.543036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.556803 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -52.442
Base-Backbone interact. energy: -0.046
local terms energy: -53.999752
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -9.580
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: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -191.526533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.526533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.578070 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.224
local terms energy: -59.911726
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -14.577
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: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -183.056128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.056128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106908 (E_RNA)
where:
Base-Base interactions energy: -125.774
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.042
local terms energy: -57.290841
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -14.418
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: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -182.747437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.780074 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.001
local terms energy: -53.352427
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -16.413
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: 275
Temperature: 1.100000
Total energy: -179.018597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.080548 (E_RNA)
where:
Base-Base interactions energy: -124.892
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.005
local terms energy: -54.184119
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -13.392
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: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -174.587237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.587237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.639299 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -54.672
Base-Backbone interact. energy: 1.001
local terms energy: -52.758424
where:
bonds (distance) C4'-P energy: -6.777
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -12.077
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: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -177.342003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.342003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.591891 (E_RNA)
where:
Base-Base interactions energy: -125.801
where: short stacking energy: -59.951
Base-Backbone interact. energy: 0.555
local terms energy: -52.345505
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -13.137
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: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -177.413588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.413588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.475778 (E_RNA)
where:
Base-Base interactions energy: -117.956
where: short stacking energy: -52.785
Base-Backbone interact. energy: -0.023
local terms energy: -59.496828
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -13.297
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: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -167.880700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.880700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.914020 (E_RNA)
where:
Base-Base interactions energy: -122.077
where: short stacking energy: -43.384
Base-Backbone interact. energy: 0.198
local terms energy: -46.034801
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -11.347
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: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -165.196803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.196803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.217546 (E_RNA)
where:
Base-Base interactions energy: -116.264
where: short stacking energy: -55.022
Base-Backbone interact. energy: -0.105
local terms energy: -48.848530
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -13.782
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: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -196.312145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.312145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.312145 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.114
local terms energy: -54.706568
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -11.739
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: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -190.385645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.385645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445607 (E_RNA)
where:
Base-Base interactions energy: -135.360
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.073
local terms energy: -55.013049
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -10.782
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -188.231068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.267521 (E_RNA)
where:
Base-Base interactions energy: -128.595
where: short stacking energy: -57.482
Base-Backbone interact. energy: -0.009
local terms energy: -59.664336
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -8.388
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -15.795
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: 276
Temperature: 1.050000
Total energy: -184.855403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.855403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.053759 (E_RNA)
where:
Base-Base interactions energy: -125.392
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.098
local terms energy: -59.563711
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -15.547
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: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -181.947523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.947523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.947523 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -58.295
Base-Backbone interact. energy: -0.009
local terms energy: -56.425249
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -177.623254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.623254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.664736 (E_RNA)
where:
Base-Base interactions energy: -129.152
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.031
local terms energy: -48.481956
where:
bonds (distance) C4'-P energy: -6.364
bonds (distance) P-C4' energy: -7.610
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -13.824
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: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -175.558958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.558958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.710629 (E_RNA)
where:
Base-Base interactions energy: -119.643
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.000
local terms energy: -56.067701
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -11.553
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -168.393809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.393809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.468805 (E_RNA)
where:
Base-Base interactions energy: -114.156
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.030
local terms energy: -54.283364
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -15.590
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: 9, replica: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -158.583563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.583563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.602960 (E_RNA)
where:
Base-Base interactions energy: -108.188
where: short stacking energy: -45.616
Base-Backbone interact. energy: -0.170
local terms energy: -50.244653
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -8.183
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: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -159.439434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.439434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.485075 (E_RNA)
where:
Base-Base interactions energy: -116.994
where: short stacking energy: -45.219
Base-Backbone interact. energy: -0.113
local terms energy: -42.378110
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -4.272
tors. eta vs tors. theta energy: -9.570
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: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -193.190111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.190111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.190111 (E_RNA)
where:
Base-Base interactions energy: -139.291
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.005
local terms energy: -53.893493
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.234
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: 277
Temperature: 0.950000
Total energy: -191.998677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.998677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.022764 (E_RNA)
where:
Base-Base interactions energy: -127.702
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.008
local terms energy: -64.312338
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -14.468
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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -190.943497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.943497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.943497 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.175
local terms energy: -55.209024
where:
bonds (distance) C4'-P energy: -4.943
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -17.218
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -183.130349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.130349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.130349 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.117
local terms energy: -58.485524
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -14.868
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: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -181.907510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.907510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.943169 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.000
local terms energy: -54.705586
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -16.072
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: 277
Temperature: 1.150000
Total energy: -170.311367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.311367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.368254 (E_RNA)
where:
Base-Base interactions energy: -110.335
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.045
local terms energy: -59.988107
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -12.836
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: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -177.873085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.873085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.898318 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.062
local terms energy: -50.386600
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -14.394
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: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -169.932996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.932996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.022003 (E_RNA)
where:
Base-Base interactions energy: -113.458
where: short stacking energy: -52.033
Base-Backbone interact. energy: -0.677
local terms energy: -55.887717
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -14.662
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: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -159.833705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.833705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.074520 (E_RNA)
where:
Base-Base interactions energy: -111.199
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.007
local terms energy: -48.868776
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -11.461
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: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -165.917291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.917291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454135 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.351
local terms energy: -49.647739
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -11.554
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -193.848679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.851589 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.001
local terms energy: -62.082513
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -14.970
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: 278
Temperature: 0.950000
Total energy: -189.409165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.409165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.409165 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.015
local terms energy: -58.208170
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -13.205
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: 278
Temperature: 1.000000
Total energy: -186.112899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.112899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.174791 (E_RNA)
where:
Base-Base interactions energy: -123.628
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.047
local terms energy: -62.500067
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -15.779
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -188.828490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.828490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.899827 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.001
local terms energy: -61.886784
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.753
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -175.777210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.777210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.796271 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.761
local terms energy: -47.965627
where:
bonds (distance) C4'-P energy: -8.217
bonds (distance) P-C4' energy: -7.564
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -13.148
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -179.803622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.803622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.885445 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.000
local terms energy: -56.680113
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -14.761
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -163.799205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.799205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.829393 (E_RNA)
where:
Base-Base interactions energy: -117.654
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.042
local terms energy: -46.132829
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -12.335
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: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -172.704620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.704620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011230 (E_RNA)
where:
Base-Base interactions energy: -125.070
where: short stacking energy: -47.440
Base-Backbone interact. energy: 0.467
local terms energy: -48.407808
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -11.043
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: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -171.607644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.607644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.619189 (E_RNA)
where:
Base-Base interactions energy: -117.334
where: short stacking energy: -46.354
Base-Backbone interact. energy: 0.561
local terms energy: -54.845867
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -11.787
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: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -161.623528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.623528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.669970 (E_RNA)
where:
Base-Base interactions energy: -111.111
where: short stacking energy: -49.922
Base-Backbone interact. energy: -0.100
local terms energy: -50.458333
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -12.754
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: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -191.363355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.363355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.365584 (E_RNA)
where:
Base-Base interactions energy: -129.981
where: short stacking energy: -58.192
Base-Backbone interact. energy: -0.041
local terms energy: -61.343833
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -192.106713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.106713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.176551 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.002
local terms energy: -56.485752
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -15.609
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: 279
Temperature: 1.000000
Total energy: -187.317949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.317949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.317949 (E_RNA)
where:
Base-Base interactions energy: -124.977
where: short stacking energy: -58.978
Base-Backbone interact. energy: 0.191
local terms energy: -62.532236
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -13.857
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -182.073689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.073689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.143463 (E_RNA)
where:
Base-Base interactions energy: -124.761
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.038
local terms energy: -57.345148
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -15.653
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: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -183.142165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.142165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.258544 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.000
local terms energy: -60.862711
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -11.926
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: 279
Temperature: 1.150000
Total energy: -176.502139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.502139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.573059 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -53.827
Base-Backbone interact. energy: 1.371
local terms energy: -54.878644
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -13.191
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: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -177.659921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.659921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.881610 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.774
local terms energy: -60.857347
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -12.476
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: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -170.679215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.679215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.694537 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -42.180
Base-Backbone interact. energy: -0.032
local terms energy: -49.322163
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -9.093
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: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -171.512345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.512345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.596942 (E_RNA)
where:
Base-Base interactions energy: -120.506
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.067
local terms energy: -51.024376
where:
bonds (distance) C4'-P energy: -5.155
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -13.656
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: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -168.817379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.817379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.828425 (E_RNA)
where:
Base-Base interactions energy: -120.845
where: short stacking energy: -51.930
Base-Backbone interact. energy: 0.232
local terms energy: -48.215303
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -7.723
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -14.460
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: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -192.048871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.048871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.048871 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.159
local terms energy: -61.260611
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -14.724
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: 280
Temperature: 0.950000
Total energy: -194.535207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.535207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.732219 (E_RNA)
where:
Base-Base interactions energy: -128.871
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.037
local terms energy: -65.824370
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -16.988
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: 280
Temperature: 1.000000
Total energy: -185.126524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.310530 (E_RNA)
where:
Base-Base interactions energy: -126.367
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.038
local terms energy: -58.904685
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -14.466
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -189.545409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.545409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.568889 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.000
local terms energy: -60.961664
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -15.609
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: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -188.694353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.040238 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.002
local terms energy: -62.915913
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -17.099
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: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -180.170262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.170262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.217446 (E_RNA)
where:
Base-Base interactions energy: -128.133
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.010
local terms energy: -52.074685
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -15.734
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: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -178.128581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.399994 (E_RNA)
where:
Base-Base interactions energy: -116.157
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.064
local terms energy: -62.178712
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -13.762
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: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -174.118145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.118145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.118145 (E_RNA)
where:
Base-Base interactions energy: -122.922
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.000
local terms energy: -51.195796
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -160.379378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.379378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.560201 (E_RNA)
where:
Base-Base interactions energy: -117.409
where: short stacking energy: -48.190
Base-Backbone interact. energy: -0.006
local terms energy: -43.145193
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -0.856
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -13.124
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: 280
Temperature: 1.350000
Total energy: -167.826296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.826296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.826296 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.041
local terms energy: -54.722383
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -190.541755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.541755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.609022 (E_RNA)
where:
Base-Base interactions energy: -129.013
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.306
local terms energy: -61.289887
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -16.057
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: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -189.583731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.583731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.583731 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -61.222
Base-Backbone interact. energy: -0.001
local terms energy: -57.896944
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -14.523
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: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -187.913889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.913889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.930487 (E_RNA)
where:
Base-Base interactions energy: -126.068
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.000
local terms energy: -61.862436
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -14.870
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: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -187.252836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.252836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.262868 (E_RNA)
where:
Base-Base interactions energy: -128.780
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.011
local terms energy: -58.470923
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -18.254
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: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -181.106601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.106601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.109452 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.006
local terms energy: -55.172249
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -3.443
tors. eta vs tors. theta energy: -15.184
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: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -172.064526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.064526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.093353 (E_RNA)
where:
Base-Base interactions energy: -117.869
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.005
local terms energy: -54.219101
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -8.573
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -14.480
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: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -179.842408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.842408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.964349 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.109
local terms energy: -53.180265
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -10.002
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: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -172.582884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.582884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631679 (E_RNA)
where:
Base-Base interactions energy: -120.978
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.003
local terms energy: -51.650749
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -15.553
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: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -165.807975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.918639 (E_RNA)
where:
Base-Base interactions energy: -118.688
where: short stacking energy: -52.558
Base-Backbone interact. energy: -0.047
local terms energy: -47.183589
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -5.304
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -14.510
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -168.048307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.048307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.077397 (E_RNA)
where:
Base-Base interactions energy: -118.135
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.000
local terms energy: -49.942500
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -14.699
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: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -192.676941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.676941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.676941 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.014
local terms energy: -63.780017
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -16.178
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: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -192.202196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.202196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287295 (E_RNA)
where:
Base-Base interactions energy: -131.189
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.001
local terms energy: -61.096749
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -15.768
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: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -188.286437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.286437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.287417 (E_RNA)
where:
Base-Base interactions energy: -125.992
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.000
local terms energy: -62.295407
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -17.305
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: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -191.201979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.201979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.245600 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.327
local terms energy: -54.215128
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -9.620
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: 282
Temperature: 1.100000
Total energy: -182.498779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.498779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.498779 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.004
local terms energy: -55.335124
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -175.081551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.081551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.099028 (E_RNA)
where:
Base-Base interactions energy: -119.854
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.732
local terms energy: -54.513585
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -12.613
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: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -171.890526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.890526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.962288 (E_RNA)
where:
Base-Base interactions energy: -121.993
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.001
local terms energy: -49.968460
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -13.176
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -172.117073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.117073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273523 (E_RNA)
where:
Base-Base interactions energy: -121.844
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.002
local terms energy: -50.427442
where:
bonds (distance) C4'-P energy: -4.380
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -14.398
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: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -164.599669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.599669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.678249 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.348
local terms energy: -42.389712
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -9.258
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: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -159.247422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.247422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.256554 (E_RNA)
where:
Base-Base interactions energy: -111.028
where: short stacking energy: -45.685
Base-Backbone interact. energy: 0.256
local terms energy: -48.484733
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -10.392
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -192.571232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.571232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.647857 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -58.946
Base-Backbone interact. energy: 0.746
local terms energy: -63.525062
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -18.586
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -194.803617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.803617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.859066 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.000
local terms energy: -63.862102
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -16.154
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: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -184.147343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.147343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.244410 (E_RNA)
where:
Base-Base interactions energy: -124.442
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.001
local terms energy: -59.801358
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -15.706
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: 283
Temperature: 1.050000
Total energy: -181.566406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.566406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.566406 (E_RNA)
where:
Base-Base interactions energy: -126.236
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.254
local terms energy: -55.076086
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -13.309
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -178.463458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.463458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477259 (E_RNA)
where:
Base-Base interactions energy: -124.073
where: short stacking energy: -52.360
Base-Backbone interact. energy: 0.583
local terms energy: -54.987484
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -9.980
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: 283
Temperature: 1.150000
Total energy: -181.622028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.622028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.661174 (E_RNA)
where:
Base-Base interactions energy: -126.356
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.000
local terms energy: -55.304797
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -15.969
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: 283
Temperature: 1.200000
Total energy: -169.469004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.469004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.483528 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -51.467
Base-Backbone interact. energy: -0.010
local terms energy: -50.047736
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -6.101
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.818
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: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -164.793965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.793965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.843910 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -47.464
Base-Backbone interact. energy: -0.525
local terms energy: -49.322257
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -6.170
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -10.534
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: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -154.539799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.539799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.624694 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.009
local terms energy: -48.822493
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -9.696
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -167.979653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.979653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.054728 (E_RNA)
where:
Base-Base interactions energy: -112.497
where: short stacking energy: -47.055
Base-Backbone interact. energy: -0.003
local terms energy: -55.554862
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -11.958
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: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -194.523589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.523589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.537034 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.078
local terms energy: -59.018537
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.398
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: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -191.479897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.479897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.510521 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.005
local terms energy: -61.871561
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -16.762
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -183.440303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.440303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.446087 (E_RNA)
where:
Base-Base interactions energy: -126.193
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.063
local terms energy: -57.190153
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -13.656
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: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -178.203661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.203661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.427920 (E_RNA)
where:
Base-Base interactions energy: -122.266
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.020
local terms energy: -56.141378
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -12.744
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: 284
Temperature: 1.100000
Total energy: -172.623564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.623564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694015 (E_RNA)
where:
Base-Base interactions energy: -121.888
where: short stacking energy: -55.222
Base-Backbone interact. energy: -1.566
local terms energy: -49.240455
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -12.679
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -181.224225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.341652 (E_RNA)
where:
Base-Base interactions energy: -127.113
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.003
local terms energy: -54.225684
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -13.694
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: 284
Temperature: 1.200000
Total energy: -181.754990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.754990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.877041 (E_RNA)
where:
Base-Base interactions energy: -123.226
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.004
local terms energy: -58.646385
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -15.064
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: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -183.365524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.365524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.365524 (E_RNA)
where:
Base-Base interactions energy: -128.626
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.085
local terms energy: -54.653705
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -167.209167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.209167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.243928 (E_RNA)
where:
Base-Base interactions energy: -119.793
where: short stacking energy: -47.838
Base-Backbone interact. energy: 0.145
local terms energy: -47.595358
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -9.409
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: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -159.715980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.715980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.786488 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -42.039
Base-Backbone interact. energy: 0.307
local terms energy: -46.238207
where:
bonds (distance) C4'-P energy: -4.926
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -11.490
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: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -195.156518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.203899 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -61.380
Base-Backbone interact. energy: 0.703
local terms energy: -59.459861
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -13.845
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -192.837895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.837895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843177 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -58.338
Base-Backbone interact. energy: 0.692
local terms energy: -64.330765
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.538
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: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -184.915090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.915090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.915090 (E_RNA)
where:
Base-Base interactions energy: -130.090
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.022
local terms energy: -54.802935
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -13.306
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: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -190.050515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.050515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.139115 (E_RNA)
where:
Base-Base interactions energy: -133.029
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.000
local terms energy: -57.109659
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -14.817
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: 285
Temperature: 1.100000
Total energy: -179.633129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.663041 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.000
local terms energy: -55.690544
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -13.733
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: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -189.059840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.059840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.072071 (E_RNA)
where:
Base-Base interactions energy: -130.834
where: short stacking energy: -60.032
Base-Backbone interact. energy: -0.000
local terms energy: -58.237912
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -14.867
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: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -171.832998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.832998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.867304 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -49.275
Base-Backbone interact. energy: -0.123
local terms energy: -57.752325
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -12.239
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: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -165.280241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.280241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.764011 (E_RNA)
where:
Base-Base interactions energy: -111.301
where: short stacking energy: -47.257
Base-Backbone interact. energy: -0.001
local terms energy: -54.461629
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -14.014
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -164.361605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.361605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.509858 (E_RNA)
where:
Base-Base interactions energy: -117.279
where: short stacking energy: -50.253
Base-Backbone interact. energy: -0.218
local terms energy: -47.013595
where:
bonds (distance) C4'-P energy: -4.898
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -12.839
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: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -167.090290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.090290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.394335 (E_RNA)
where:
Base-Base interactions energy: -111.609
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.001
local terms energy: -55.784550
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.789
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: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -197.181645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.181645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.181645 (E_RNA)
where:
Base-Base interactions energy: -134.582
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.648
local terms energy: -61.951019
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -15.238
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: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -184.375560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.375560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.399830 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.000
local terms energy: -59.273681
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -12.953
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: 286
Temperature: 1.000000
Total energy: -189.680247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.680247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.872353 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.009
local terms energy: -62.717493
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -15.487
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: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -183.982480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982480 (E_RNA)
where:
Base-Base interactions energy: -129.933
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.006
local terms energy: -54.043008
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -16.497
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -180.585861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.585861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.602830 (E_RNA)
where:
Base-Base interactions energy: -127.243
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.290
local terms energy: -53.070279
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -15.867
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: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -182.805114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.805114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.807961 (E_RNA)
where:
Base-Base interactions energy: -131.660
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.436
local terms energy: -50.711830
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -5.505
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -17.515
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: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -181.055407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.055407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.076347 (E_RNA)
where:
Base-Base interactions energy: -125.545
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.000
local terms energy: -55.530762
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -13.779
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -162.996809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.996809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.120496 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.295
local terms energy: -47.269672
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -12.085
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -151.545774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.545774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.970256 (E_RNA)
where:
Base-Base interactions energy: -102.919
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.002
local terms energy: -49.049221
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -5.497
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -158.727477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.727477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.945692 (E_RNA)
where:
Base-Base interactions energy: -112.459
where: short stacking energy: -43.597
Base-Backbone interact. energy: -0.090
local terms energy: -46.396121
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -11.052
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: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -199.579249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.579249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.579879 (E_RNA)
where:
Base-Base interactions energy: -133.229
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.015
local terms energy: -66.335361
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.026
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: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -190.351133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.351133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462844 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.000
local terms energy: -59.914486
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.206
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: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -187.099676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.099676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146800 (E_RNA)
where:
Base-Base interactions energy: -129.982
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.050
local terms energy: -57.114546
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -13.127
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: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -175.336515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.336515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.336515 (E_RNA)
where:
Base-Base interactions energy: -121.415
where: short stacking energy: -46.946
Base-Backbone interact. energy: -0.083
local terms energy: -53.838846
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -9.368
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -180.916063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.916063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.967619 (E_RNA)
where:
Base-Base interactions energy: -120.566
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.772
local terms energy: -59.629539
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -13.245
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -176.067170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.067170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.086999 (E_RNA)
where:
Base-Base interactions energy: -123.726
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.025
local terms energy: -52.336209
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.020 (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: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -178.630735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.630735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.670043 (E_RNA)
where:
Base-Base interactions energy: -122.874
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.052
local terms energy: -55.743544
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -15.987
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: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -177.248246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.248246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.283872 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -53.662
Base-Backbone interact. energy: -0.004
local terms energy: -53.881451
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -13.985
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: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -153.984843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.984843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.153140 (E_RNA)
where:
Base-Base interactions energy: -107.606
where: short stacking energy: -42.571
Base-Backbone interact. energy: -0.178
local terms energy: -46.369253
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -8.401
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -171.986040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.986040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.011486 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -49.366
Base-Backbone interact. energy: -0.057
local terms energy: -53.425007
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -13.435
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: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -195.132902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.132902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.139491 (E_RNA)
where:
Base-Base interactions energy: -130.269
where: short stacking energy: -58.927
Base-Backbone interact. energy: -0.017
local terms energy: -64.854346
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -18.122
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -194.097570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.097570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.179640 (E_RNA)
where:
Base-Base interactions energy: -135.710
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.008
local terms energy: -58.461939
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -14.622
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: 288
Temperature: 1.000000
Total energy: -178.885741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914618 (E_RNA)
where:
Base-Base interactions energy: -127.343
where: short stacking energy: -50.197
Base-Backbone interact. energy: -0.103
local terms energy: -51.468287
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -12.904
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: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -180.803269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.803269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.818210 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.085
local terms energy: -53.555214
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -11.410
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: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -178.218296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.218296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.224368 (E_RNA)
where:
Base-Base interactions energy: -128.000
where: short stacking energy: -56.152
Base-Backbone interact. energy: -0.066
local terms energy: -50.157962
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -11.841
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: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -177.902065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.902065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.921837 (E_RNA)
where:
Base-Base interactions energy: -125.161
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.101
local terms energy: -52.660663
where:
bonds (distance) C4'-P energy: -6.984
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.020 (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: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -171.878353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.878353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.883972 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -51.694
Base-Backbone interact. energy: -0.562
local terms energy: -51.837957
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: -12.530
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: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -158.235448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.235448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.274035 (E_RNA)
where:
Base-Base interactions energy: -112.849
where: short stacking energy: -44.275
Base-Backbone interact. energy: -0.509
local terms energy: -44.915846
where:
bonds (distance) C4'-P energy: -4.342
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -10.786
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: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -174.015892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.015892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.041065 (E_RNA)
where:
Base-Base interactions energy: -120.823
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.011
local terms energy: -53.206710
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -14.269
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -156.074965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.074965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.074965 (E_RNA)
where:
Base-Base interactions energy: -108.937
where: short stacking energy: -45.603
Base-Backbone interact. energy: -0.247
local terms energy: -46.891323
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -187.478663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.483556 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.000
local terms energy: -58.761820
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -13.125
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: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -197.343920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.343920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.368652 (E_RNA)
where:
Base-Base interactions energy: -135.412
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.074
local terms energy: -61.882622
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -17.255
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: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -184.475695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490137 (E_RNA)
where:
Base-Base interactions energy: -126.278
where: short stacking energy: -54.810
Base-Backbone interact. energy: -0.073
local terms energy: -58.138824
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -15.383
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -172.366017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.366017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.391687 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.098
local terms energy: -49.130861
where:
bonds (distance) C4'-P energy: -6.468
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -12.000
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -176.347129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.347129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.366130 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.003
local terms energy: -49.424881
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -9.987
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: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -184.083621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.083621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368759 (E_RNA)
where:
Base-Base interactions energy: -125.664
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.367
local terms energy: -58.338112
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -12.155
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: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -182.287448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.287448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.584204 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.604
local terms energy: -57.188951
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -17.408
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -167.009844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.009844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.009844 (E_RNA)
where:
Base-Base interactions energy: -114.800
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.001
local terms energy: -52.209220
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -165.335423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.335423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.455174 (E_RNA)
where:
Base-Base interactions energy: -113.827
where: short stacking energy: -44.056
Base-Backbone interact. energy: -0.001
local terms energy: -51.626869
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -12.201
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: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -170.456852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.456852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.478514 (E_RNA)
where:
Base-Base interactions energy: -120.292
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.046
local terms energy: -50.140626
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -14.162
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: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -196.571958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.571958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.571958 (E_RNA)
where:
Base-Base interactions energy: -137.347
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.001
local terms energy: -59.224151
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -16.223
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: 290
Temperature: 0.950000
Total energy: -193.792706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.792706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.817257 (E_RNA)
where:
Base-Base interactions energy: -135.124
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.053
local terms energy: -58.640496
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -7.866
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -18.212
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: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -188.018319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.018319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.091251 (E_RNA)
where:
Base-Base interactions energy: -125.519
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.011
local terms energy: -62.561469
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -15.880
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: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -188.264847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.264847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.310330 (E_RNA)
where:
Base-Base interactions energy: -128.679
where: short stacking energy: -51.226
Base-Backbone interact. energy: -0.083
local terms energy: -59.548484
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -12.302
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: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -179.661773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.661773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.709354 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -52.751
Base-Backbone interact. energy: -0.000
local terms energy: -56.787845
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -8.099
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -14.992
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: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -169.439102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.439102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.482807 (E_RNA)
where:
Base-Base interactions energy: -120.068
where: short stacking energy: -49.026
Base-Backbone interact. energy: -0.035
local terms energy: -49.379279
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -1.425
tors. eta vs tors. theta energy: -13.939
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: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -167.100893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.100893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.234899 (E_RNA)
where:
Base-Base interactions energy: -121.092
where: short stacking energy: -48.972
Base-Backbone interact. energy: -0.266
local terms energy: -45.876778
where:
bonds (distance) C4'-P energy: -6.222
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -9.349
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -165.232182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.232182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.515084 (E_RNA)
where:
Base-Base interactions energy: -106.499
where: short stacking energy: -41.546
Base-Backbone interact. energy: -0.030
local terms energy: -58.985582
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -13.750
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: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -167.987242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.987242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.124821 (E_RNA)
where:
Base-Base interactions energy: -113.533
where: short stacking energy: -43.468
Base-Backbone interact. energy: -0.125
local terms energy: -54.466430
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -11.663
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: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -172.871282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.871282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871282 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -51.670
Base-Backbone interact. energy: -0.013
local terms energy: -56.730086
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -195.583919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.583919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.589731 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.008
local terms energy: -61.048463
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -16.082
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: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -190.762691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837403 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.913
local terms energy: -61.419637
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.635
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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -192.170592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.170592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.170592 (E_RNA)
where:
Base-Base interactions energy: -130.241
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.001
local terms energy: -61.929113
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -16.792
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: 291
Temperature: 1.050000
Total energy: -184.827986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.827986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870008 (E_RNA)
where:
Base-Base interactions energy: -126.194
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.001
local terms energy: -58.675040
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -13.049
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: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -177.971014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.971014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.007910 (E_RNA)
where:
Base-Base interactions energy: -122.547
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.086
local terms energy: -55.374794
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.287
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: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -182.119981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.119981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.209180 (E_RNA)
where:
Base-Base interactions energy: -128.940
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.003
local terms energy: -53.266331
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -15.440
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: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -171.216623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.216623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.216623 (E_RNA)
where:
Base-Base interactions energy: -121.405
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.313
local terms energy: -49.497797
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -170.977734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.977734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.055796 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.096
local terms energy: -50.643957
where:
bonds (distance) C4'-P energy: -2.777
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -15.581
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: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -167.309187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.309187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393849 (E_RNA)
where:
Base-Base interactions energy: -121.416
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.079
local terms energy: -45.898612
where:
bonds (distance) C4'-P energy: -5.663
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -5.458
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -12.756
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: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -163.755266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.792733 (E_RNA)
where:
Base-Base interactions energy: -109.705
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.008
local terms energy: -54.079801
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -11.738
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: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -193.534530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.534530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.630966 (E_RNA)
where:
Base-Base interactions energy: -132.568
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.001
local terms energy: -61.061372
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -17.892
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: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -189.350262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.350262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.382845 (E_RNA)
where:
Base-Base interactions energy: -128.609
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.000
local terms energy: -60.773111
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -16.434
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -184.775248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.775248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.775248 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.189
local terms energy: -59.378541
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -14.664
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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -182.872382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.872382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.872382 (E_RNA)
where:
Base-Base interactions energy: -126.927
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.388
local terms energy: -55.557463
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -12.485
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: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -181.195727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.195727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.541935 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.000
local terms energy: -55.156017
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -15.698
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: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -175.071159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.187342 (E_RNA)
where:
Base-Base interactions energy: -122.206
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.046
local terms energy: -52.935402
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -15.712
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: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -174.480972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.480972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.517888 (E_RNA)
where:
Base-Base interactions energy: -120.336
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.003
local terms energy: -54.178542
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -15.789
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: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -164.345020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.345020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.393891 (E_RNA)
where:
Base-Base interactions energy: -111.225
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.360
local terms energy: -52.809182
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -12.803
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -160.183083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.183083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.183191 (E_RNA)
where:
Base-Base interactions energy: -113.585
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.324
local terms energy: -46.274440
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -161.087120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.087120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.306065 (E_RNA)
where:
Base-Base interactions energy: -109.280
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.112
local terms energy: -51.914456
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -8.669
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: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -192.975591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975591 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -61.523
Base-Backbone interact. energy: -0.011
local terms energy: -60.352039
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -13.535
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: 293
Temperature: 0.950000
Total energy: -186.538074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.538074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.770742 (E_RNA)
where:
Base-Base interactions energy: -122.721
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.040
local terms energy: -64.009389
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -15.359
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -187.526760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.526760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.526760 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.009
local terms energy: -58.149767
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -5.513
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -16.686
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: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -181.986992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.986992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008095 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.008
local terms energy: -57.033873
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -13.724
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: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -178.063213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.063213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202708 (E_RNA)
where:
Base-Base interactions energy: -119.219
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.308
local terms energy: -58.675793
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -14.058
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: 293
Temperature: 1.150000
Total energy: -169.650935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.896630 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -50.663
Base-Backbone interact. energy: -0.057
local terms energy: -53.711635
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -10.545
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -177.384241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.384241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.413301 (E_RNA)
where:
Base-Base interactions energy: -124.065
where: short stacking energy: -51.686
Base-Backbone interact. energy: -0.085
local terms energy: -53.263044
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -1.247
tors. eta vs tors. theta energy: -15.145
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: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -163.646478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.646478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.715468 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.009
local terms energy: -44.270684
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -11.732
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: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -169.598476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.598476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.663521 (E_RNA)
where:
Base-Base interactions energy: -120.532
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.030
local terms energy: -49.102072
where:
bonds (distance) C4'-P energy: -5.650
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -14.634
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: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -173.067609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.067609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.408067 (E_RNA)
where:
Base-Base interactions energy: -118.136
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.008
local terms energy: -55.264401
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -13.200
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: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -195.256365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.299341 (E_RNA)
where:
Base-Base interactions energy: -131.649
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.041
local terms energy: -63.608948
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.437
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: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -190.295931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.295931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.346465 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -58.903
Base-Backbone interact. energy: 0.198
local terms energy: -63.349999
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -17.023
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: 294
Temperature: 1.000000
Total energy: -191.343143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.343143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.368657 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.001
local terms energy: -57.050090
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -17.275
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: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -187.738407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.738407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.740800 (E_RNA)
where:
Base-Base interactions energy: -129.506
where: short stacking energy: -56.938
Base-Backbone interact. energy: -0.004
local terms energy: -58.231169
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.002 (S_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: 294
Temperature: 1.100000
Total energy: -179.044592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.044592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.044592 (E_RNA)
where:
Base-Base interactions energy: -124.039
where: short stacking energy: -49.671
Base-Backbone interact. energy: -0.052
local terms energy: -54.953700
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -181.051281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.051281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.069506 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.058
local terms energy: -57.236887
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -14.471
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -162.241872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.241872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.273022 (E_RNA)
where:
Base-Base interactions energy: -103.759
where: short stacking energy: -42.676
Base-Backbone interact. energy: -0.005
local terms energy: -58.509544
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -12.359
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: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -173.673391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.673391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.721661 (E_RNA)
where:
Base-Base interactions energy: -117.488
where: short stacking energy: -53.320
Base-Backbone interact. energy: -0.097
local terms energy: -56.136278
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -14.696
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: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -168.943181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047032 (E_RNA)
where:
Base-Base interactions energy: -114.570
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.001
local terms energy: -54.475835
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -11.380
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: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -154.138514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.138514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.244024 (E_RNA)
where:
Base-Base interactions energy: -113.739
where: short stacking energy: -54.407
Base-Backbone interact. energy: -0.151
local terms energy: -40.354387
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -4.067
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -13.005
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: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -197.253688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.253688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.253688 (E_RNA)
where:
Base-Base interactions energy: -133.822
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.041
local terms energy: -63.390489
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -15.647
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -183.510144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.510144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.511508 (E_RNA)
where:
Base-Base interactions energy: -127.862
where: short stacking energy: -58.663
Base-Backbone interact. energy: -0.054
local terms energy: -55.594923
where:
bonds (distance) C4'-P energy: -6.549
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -15.584
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: 295
Temperature: 1.000000
Total energy: -192.072910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081779 (E_RNA)
where:
Base-Base interactions energy: -127.805
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.000
local terms energy: -64.276709
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -16.365
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -177.235862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.235862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.245000 (E_RNA)
where:
Base-Base interactions energy: -120.397
where: short stacking energy: -48.064
Base-Backbone interact. energy: -0.270
local terms energy: -56.578069
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -11.479
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: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -185.767917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.767917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794333 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.038
local terms energy: -59.272194
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -16.448
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -183.618151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.618151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.778305 (E_RNA)
where:
Base-Base interactions energy: -122.228
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.018
local terms energy: -61.532339
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -15.222
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: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -167.535227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.535227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.689528 (E_RNA)
where:
Base-Base interactions energy: -112.716
where: short stacking energy: -46.291
Base-Backbone interact. energy: -0.029
local terms energy: -54.944094
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -11.755
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: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -171.066177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.066177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.157818 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.004
local terms energy: -52.453951
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -13.312
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: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -177.321722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.321722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.485602 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.083
local terms energy: -56.029568
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -16.854
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: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -162.530121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.530121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.781877 (E_RNA)
where:
Base-Base interactions energy: -109.480
where: short stacking energy: -46.509
Base-Backbone interact. energy: -0.001
local terms energy: -53.300947
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -13.166
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: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -195.574707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.574707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.574707 (E_RNA)
where:
Base-Base interactions energy: -131.394
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.000
local terms energy: -64.180640
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -16.031
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: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -191.526201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.551433 (E_RNA)
where:
Base-Base interactions energy: -132.367
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.245
local terms energy: -58.939584
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -11.706
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: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -184.463500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.463500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.760042 (E_RNA)
where:
Base-Base interactions energy: -134.618
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.178
local terms energy: -49.964059
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -13.502
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: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -178.370887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.370887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.387120 (E_RNA)
where:
Base-Base interactions energy: -131.675
where: short stacking energy: -51.959
Base-Backbone interact. energy: -0.147
local terms energy: -46.565442
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -9.131
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: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -188.456157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.456157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.805288 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.025
local terms energy: -60.538833
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -15.331
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: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -180.181842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.181842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.399215 (E_RNA)
where:
Base-Base interactions energy: -121.917
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.180
local terms energy: -58.301830
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -16.746
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -180.568734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.568734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.568734 (E_RNA)
where:
Base-Base interactions energy: -123.634
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.007
local terms energy: -56.927088
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -8.378
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -167.624205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.624205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.736378 (E_RNA)
where:
Base-Base interactions energy: -115.038
where: short stacking energy: -50.594
Base-Backbone interact. energy: -0.016
local terms energy: -52.682900
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -14.313
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: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -159.776007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.295810 (E_RNA)
where:
Base-Base interactions energy: -108.106
where: short stacking energy: -44.149
Base-Backbone interact. energy: -0.199
local terms energy: -51.990382
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -7.627
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -12.267
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: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -169.952996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.952996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.960914 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.427
local terms energy: -53.678717
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -8.207
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: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -191.939285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.939285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939285 (E_RNA)
where:
Base-Base interactions energy: -132.094
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.003
local terms energy: -59.842073
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.218
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: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -192.742446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.742446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.742446 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.028
local terms energy: -65.389850
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -16.077
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: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -190.528108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.528108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.536767 (E_RNA)
where:
Base-Base interactions energy: -130.438
where: short stacking energy: -50.636
Base-Backbone interact. energy: -1.237
local terms energy: -58.862375
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -13.620
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: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -187.545299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.670368 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.001
local terms energy: -57.449852
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -16.738
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: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -181.059058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.275266 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.038
local terms energy: -51.139091
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -14.366
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -182.274628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.274628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307656 (E_RNA)
where:
Base-Base interactions energy: -123.862
where: short stacking energy: -58.542
Base-Backbone interact. energy: -0.000
local terms energy: -58.445275
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -14.326
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: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -175.610071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.610071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.953397 (E_RNA)
where:
Base-Base interactions energy: -120.429
where: short stacking energy: -51.456
Base-Backbone interact. energy: -0.099
local terms energy: -55.424991
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -14.200
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: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -173.719230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.719230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.876592 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -55.757
Base-Backbone interact. energy: 0.563
local terms energy: -54.353712
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -7.676
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -11.776
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: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -166.068571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.068571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.068571 (E_RNA)
where:
Base-Base interactions energy: -117.650
where: short stacking energy: -47.366
Base-Backbone interact. energy: -0.000
local terms energy: -48.418983
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -162.493177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.493177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.600628 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.039
local terms energy: -43.084328
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -7.300
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: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -187.207199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.207199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.260874 (E_RNA)
where:
Base-Base interactions energy: -130.164
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.000
local terms energy: -57.096366
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -14.221
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: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -190.907818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.907818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.925909 (E_RNA)
where:
Base-Base interactions energy: -125.998
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.240
local terms energy: -64.687707
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -16.556
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: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -182.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.384656 (E_RNA)
where:
Base-Base interactions energy: -122.085
where: short stacking energy: -53.663
Base-Backbone interact. energy: -0.057
local terms energy: -60.242527
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -13.472
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: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -175.745505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.745505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.766380 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.177
local terms energy: -51.546727
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -11.883
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: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -187.205690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.205690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.205690 (E_RNA)
where:
Base-Base interactions energy: -128.541
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.006
local terms energy: -58.659596
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -174.843156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.843156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.870478 (E_RNA)
where:
Base-Base interactions energy: -123.610
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.000
local terms energy: -51.260321
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.491
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: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -173.475909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.475909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.684388 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.007
local terms energy: -44.840111
where:
bonds (distance) C4'-P energy: -7.149
bonds (distance) P-C4' energy: -8.467
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -12.245
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: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -166.541801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.541801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.742761 (E_RNA)
where:
Base-Base interactions energy: -112.092
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.011
local terms energy: -54.639415
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.281
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: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -158.749458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.749458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.854321 (E_RNA)
where:
Base-Base interactions energy: -108.822
where: short stacking energy: -45.910
Base-Backbone interact. energy: -0.128
local terms energy: -49.904996
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -7.824
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: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -158.760162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.760162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.923625 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.789
local terms energy: -34.980660
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -9.357
flat angles C4'-P-C4' energy: -7.533
flat angles P-C4'-P energy: -0.712
tors. eta vs tors. theta energy: -10.439
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: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -195.366064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.366064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.366064 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -61.845
Base-Backbone interact. energy: 0.001
local terms energy: -65.143517
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -17.267
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -190.059198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.067951 (E_RNA)
where:
Base-Base interactions energy: -129.438
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.002
local terms energy: -60.628487
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -14.617
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: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -183.795750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.795750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.815254 (E_RNA)
where:
Base-Base interactions energy: -126.178
where: short stacking energy: -54.864
Base-Backbone interact. energy: 0.354
local terms energy: -57.990688
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.020 (S_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: 299
Temperature: 1.050000
Total energy: -182.000695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149645 (E_RNA)
where:
Base-Base interactions energy: -128.138
where: short stacking energy: -58.221
Base-Backbone interact. energy: -0.015
local terms energy: -53.997004
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -15.046
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: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -181.724949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.724949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.785791 (E_RNA)
where:
Base-Base interactions energy: -124.038
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.000
local terms energy: -57.747108
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -16.235
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: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -180.271593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.271593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.483977 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -53.981
Base-Backbone interact. energy: 1.065
local terms energy: -56.931903
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -13.240
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: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -182.385230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.385230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.526158 (E_RNA)
where:
Base-Base interactions energy: -125.781
where: short stacking energy: -57.406
Base-Backbone interact. energy: -0.002
local terms energy: -56.743592
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -15.721
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: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -161.984947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.984947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.984977 (E_RNA)
where:
Base-Base interactions energy: -118.377
where: short stacking energy: -50.677
Base-Backbone interact. energy: -0.001
local terms energy: -43.606081
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -6.551
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -172.886169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.886169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.973893 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.003
local terms energy: -53.310466
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -6.528
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -12.511
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: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -164.625385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.625385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.625699 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -43.629
Base-Backbone interact. energy: -1.403
local terms energy: -44.000927
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -196.409895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.409895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.420092 (E_RNA)
where:
Base-Base interactions energy: -131.874
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.207
local terms energy: -64.339980
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -16.893
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: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -192.440217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.440217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.472573 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.056
local terms energy: -61.336895
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -14.483
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: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -187.812836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.940872 (E_RNA)
where:
Base-Base interactions energy: -127.412
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.299
local terms energy: -60.230086
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -15.960
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: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -192.387055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.387055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.406181 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.246
local terms energy: -58.193173
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -14.591
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: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -183.435900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.435900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.467687 (E_RNA)
where:
Base-Base interactions energy: -128.249
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.000
local terms energy: -55.218093
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -17.264
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -180.146926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.146926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.192232 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.003
local terms energy: -57.241899
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -15.754
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -178.051961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.057920 (E_RNA)
where:
Base-Base interactions energy: -122.116
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.020
local terms energy: -55.921163
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -12.430
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: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -175.041092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.041092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.066542 (E_RNA)
where:
Base-Base interactions energy: -125.144
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.017
local terms energy: -49.906127
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -10.645
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -158.846325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.846325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.144224 (E_RNA)
where:
Base-Base interactions energy: -104.685
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.328
local terms energy: -54.131068
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -12.666
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: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -169.845256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.845256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.932874 (E_RNA)
where:
Base-Base interactions energy: -121.626
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.232
local terms energy: -48.075419
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -8.171
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: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -193.565713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.602413 (E_RNA)
where:
Base-Base interactions energy: -130.800
where: short stacking energy: -60.549
Base-Backbone interact. energy: -0.012
local terms energy: -62.790877
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -13.042
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: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -187.976141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.976141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.025928 (E_RNA)
where:
Base-Base interactions energy: -131.360
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.009
local terms energy: -56.656728
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -15.224
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: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -188.001282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.001282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.128399 (E_RNA)
where:
Base-Base interactions energy: -129.012
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.146
local terms energy: -58.970694
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -14.081
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -183.766943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.766943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.805971 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.028
local terms energy: -56.006718
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -13.409
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: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -180.951052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.951052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.035278 (E_RNA)
where:
Base-Base interactions energy: -126.824
where: short stacking energy: -55.137
Base-Backbone interact. energy: 0.115
local terms energy: -54.325727
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -14.288
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: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -182.391082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.434092 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.127
local terms energy: -61.794424
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -17.783
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: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -171.136564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.136564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.136564 (E_RNA)
where:
Base-Base interactions energy: -116.119
where: short stacking energy: -50.048
Base-Backbone interact. energy: -0.082
local terms energy: -54.935077
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -177.054912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.054912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.350257 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.780
local terms energy: -48.003508
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -12.598
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: 5
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -169.268869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.288159 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -51.263
Base-Backbone interact. energy: -0.003
local terms energy: -49.297030
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -13.563
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: 10, replica: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -157.707338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.707338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.910080 (E_RNA)
where:
Base-Base interactions energy: -112.530
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.040
local terms energy: -45.340592
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -6.524
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: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -198.539834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.539834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.650620 (E_RNA)
where:
Base-Base interactions energy: -134.215
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.015
local terms energy: -64.420370
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -17.247
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -187.857125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.857125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.925161 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.000
local terms energy: -58.127509
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -17.358
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: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -192.558662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.558662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.637687 (E_RNA)
where:
Base-Base interactions energy: -130.564
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.007
local terms energy: -62.066649
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -16.839
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: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -187.511628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.511628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.568447 (E_RNA)
where:
Base-Base interactions energy: -132.631
where: short stacking energy: -60.303
Base-Backbone interact. energy: -0.007
local terms energy: -54.930026
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -14.405
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: 302
Temperature: 1.100000
Total energy: -183.523005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.598683 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -57.559
Base-Backbone interact. energy: -0.040
local terms energy: -60.581365
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -14.143
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -178.010659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055954 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -54.109
Base-Backbone interact. energy: 2.323
local terms energy: -57.549000
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -12.345
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -179.932783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.964930 (E_RNA)
where:
Base-Base interactions energy: -119.842
where: short stacking energy: -55.994
Base-Backbone interact. energy: 0.326
local terms energy: -60.449052
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -13.363
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: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -173.363707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.363707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.363707 (E_RNA)
where:
Base-Base interactions energy: -126.996
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.002
local terms energy: -46.365903
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -7.302
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -161.747726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.747726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.755314 (E_RNA)
where:
Base-Base interactions energy: -116.720
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.005
local terms energy: -45.029925
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -11.578
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: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -159.623064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.623064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.639156 (E_RNA)
where:
Base-Base interactions energy: -112.959
where: short stacking energy: -45.820
Base-Backbone interact. energy: -0.015
local terms energy: -46.664963
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -10.842
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: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -193.737864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.840756 (E_RNA)
where:
Base-Base interactions energy: -127.661
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.938
local terms energy: -65.242237
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -17.244
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: 303
Temperature: 0.950000
Total energy: -186.876285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.876285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.994682 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.002
local terms energy: -60.272314
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -15.332
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -185.082555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.082555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.088963 (E_RNA)
where:
Base-Base interactions energy: -127.298
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.002
local terms energy: -57.789176
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.655
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: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -183.230562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.230562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.259718 (E_RNA)
where:
Base-Base interactions energy: -129.491
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.003
local terms energy: -53.765785
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -13.055
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: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -182.639376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.639376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.174551 (E_RNA)
where:
Base-Base interactions energy: -125.222
where: short stacking energy: -58.468
Base-Backbone interact. energy: -0.001
local terms energy: -57.951795
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -6.391
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -16.736
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: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -183.347106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.347106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.409110 (E_RNA)
where:
Base-Base interactions energy: -126.717
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.001
local terms energy: -56.691788
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -14.442
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: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -171.897298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.897298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.980995 (E_RNA)
where:
Base-Base interactions energy: -120.661
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.020
local terms energy: -51.299776
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -13.391
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: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -177.543489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.543489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.634338 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.133
local terms energy: -53.100921
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -14.344
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: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -169.737686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.737686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.937782 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -57.028
Base-Backbone interact. energy: -0.035
local terms energy: -52.383013
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -14.998
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: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -159.601798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.601798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.097205 (E_RNA)
where:
Base-Base interactions energy: -121.494
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.058
local terms energy: -38.545497
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -5.391
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -1.257
tors. eta vs tors. theta energy: -12.278
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: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -193.136048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.136048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.155471 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -62.163
Base-Backbone interact. energy: -0.000
local terms energy: -60.369822
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -15.216
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: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -190.784037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.784037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.801820 (E_RNA)
where:
Base-Base interactions energy: -127.285
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.843
local terms energy: -62.673891
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -16.499
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: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -182.911484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.911484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.298919 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.000
local terms energy: -55.579591
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -7.105
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -14.782
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: 304
Temperature: 1.050000
Total energy: -173.525704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.525704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.826989 (E_RNA)
where:
Base-Base interactions energy: -117.818
where: short stacking energy: -43.912
Base-Backbone interact. energy: -1.097
local terms energy: -54.911570
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -13.361
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: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -183.935385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.935385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.949842 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.066
local terms energy: -60.937231
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -15.018
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: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -183.796676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.796676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.801347 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -57.945
Base-Backbone interact. energy: -0.014
local terms energy: -55.840562
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -13.445
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: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -178.263065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.263065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.263065 (E_RNA)
where:
Base-Base interactions energy: -124.760
where: short stacking energy: -58.418
Base-Backbone interact. energy: 0.269
local terms energy: -53.771897
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -164.307617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.307617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.666530 (E_RNA)
where:
Base-Base interactions energy: -112.317
where: short stacking energy: -48.722
Base-Backbone interact. energy: -0.044
local terms energy: -52.306189
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -13.013
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: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -163.215321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.215321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.438852 (E_RNA)
where:
Base-Base interactions energy: -117.356
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.035
local terms energy: -46.047877
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -7.520
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -11.099
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: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -153.714150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.714150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.751383 (E_RNA)
where:
Base-Base interactions energy: -109.640
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.238
local terms energy: -43.873252
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -8.539
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: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -195.669392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.669392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.870085 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.003
local terms energy: -65.852250
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -15.841
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: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -189.839220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.839220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.088620 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.002
local terms energy: -65.897958
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -15.668
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -193.399441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.399441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.666090 (E_RNA)
where:
Base-Base interactions energy: -133.760
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.002
local terms energy: -59.903636
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -17.358
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: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -184.884140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.884140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.098332 (E_RNA)
where:
Base-Base interactions energy: -125.022
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.000
local terms energy: -60.075926
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -13.860
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -185.145428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.145428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.198542 (E_RNA)
where:
Base-Base interactions energy: -126.464
where: short stacking energy: -55.930
Base-Backbone interact. energy: -0.004
local terms energy: -58.731442
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -13.526
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: 305
Temperature: 1.150000
Total energy: -178.620771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.620771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.666615 (E_RNA)
where:
Base-Base interactions energy: -124.907
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.081
local terms energy: -53.678425
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -15.071
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: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -176.815504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.815504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.991761 (E_RNA)
where:
Base-Base interactions energy: -120.048
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.239
local terms energy: -56.704681
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -15.339
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: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -166.038756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.038756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.088109 (E_RNA)
where:
Base-Base interactions energy: -112.040
where: short stacking energy: -44.166
Base-Backbone interact. energy: -0.092
local terms energy: -53.955263
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.680
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: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -165.319268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.319268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.328081 (E_RNA)
where:
Base-Base interactions energy: -120.592
where: short stacking energy: -47.867
Base-Backbone interact. energy: -0.946
local terms energy: -43.790009
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -3.117
tors. eta vs tors. theta energy: -13.673
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: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -169.256966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.256966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.272518 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.008
local terms energy: -48.505020
where:
bonds (distance) C4'-P energy: -3.510
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -14.223
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -195.654368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.654368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690297 (E_RNA)
where:
Base-Base interactions energy: -130.595
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.053
local terms energy: -65.042265
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -16.907
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: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -195.355372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.355372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.373415 (E_RNA)
where:
Base-Base interactions energy: -132.246
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.293
local terms energy: -62.833776
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.904
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -194.965664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.965664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.016448 (E_RNA)
where:
Base-Base interactions energy: -132.393
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.008
local terms energy: -62.616270
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -15.025
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: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -183.651402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.651402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.706070 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -55.449
Base-Backbone interact. energy: -0.080
local terms energy: -56.494279
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -15.364
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -184.098221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.098221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.131740 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.022
local terms energy: -54.993082
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -15.213
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: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -172.559814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.559814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.586130 (E_RNA)
where:
Base-Base interactions energy: -113.618
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.024
local terms energy: -58.943685
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -12.497
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: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -168.955552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.955552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.099659 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.001
local terms energy: -54.450337
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -10.065
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: 306
Temperature: 1.250000
Total energy: -170.605440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.605440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.605440 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.003
local terms energy: -51.492559
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -166.299574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.299574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.408850 (E_RNA)
where:
Base-Base interactions energy: -113.636
where: short stacking energy: -46.728
Base-Backbone interact. energy: 1.619
local terms energy: -54.392359
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -14.275
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -165.192172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.192172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.192172 (E_RNA)
where:
Base-Base interactions energy: -126.115
where: short stacking energy: -47.668
Base-Backbone interact. energy: -0.027
local terms energy: -39.050192
where:
bonds (distance) C4'-P energy: -6.417
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -8.328
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -195.973081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.973081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.973081 (E_RNA)
where:
Base-Base interactions energy: -133.399
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.001
local terms energy: -62.572677
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -17.887
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -188.192675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.192675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.212815 (E_RNA)
where:
Base-Base interactions energy: -128.046
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.047
local terms energy: -60.119879
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -185.117513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.117513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.158094 (E_RNA)
where:
Base-Base interactions energy: -128.407
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.001
local terms energy: -56.749982
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.701
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: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -185.566835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.566835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.606253 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.042
local terms energy: -57.926355
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -13.968
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: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -184.000836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.000836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.101616 (E_RNA)
where:
Base-Base interactions energy: -126.181
where: short stacking energy: -47.817
Base-Backbone interact. energy: -1.513
local terms energy: -56.407499
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -10.700
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: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -170.037797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.037797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.076905 (E_RNA)
where:
Base-Base interactions energy: -119.385
where: short stacking energy: -50.876
Base-Backbone interact. energy: 2.731
local terms energy: -53.423870
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -9.953
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -171.163458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.163458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.352518 (E_RNA)
where:
Base-Base interactions energy: -116.239
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.145
local terms energy: -54.968334
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -13.965
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: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -179.517389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587078 (E_RNA)
where:
Base-Base interactions energy: -125.039
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.002
local terms energy: -54.545803
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -8.159
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -15.880
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: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -161.906640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.906640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.914751 (E_RNA)
where:
Base-Base interactions energy: -115.444
where: short stacking energy: -51.416
Base-Backbone interact. energy: -0.385
local terms energy: -46.086504
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -8.442
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -163.724786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.724786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.762949 (E_RNA)
where:
Base-Base interactions energy: -108.581
where: short stacking energy: -38.757
Base-Backbone interact. energy: -0.172
local terms energy: -55.009322
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -9.523
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: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -193.345852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.345852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346135 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.577
local terms energy: -59.464186
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -15.323
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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -186.929205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.929205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.014797 (E_RNA)
where:
Base-Base interactions energy: -124.734
where: short stacking energy: -57.120
Base-Backbone interact. energy: -0.000
local terms energy: -62.280305
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -14.010
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: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -187.521532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.521532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.553054 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.001
local terms energy: -58.535903
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -14.297
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: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -188.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.997842 (E_RNA)
where:
Base-Base interactions energy: -129.786
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.016
local terms energy: -59.195892
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -17.526
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: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -181.490149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.490149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.742818 (E_RNA)
where:
Base-Base interactions energy: -129.643
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.570
local terms energy: -51.529211
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -7.416
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -14.378
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: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -171.901449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.062337 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.060
local terms energy: -52.661361
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -13.685
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: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -172.864856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.864856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012442 (E_RNA)
where:
Base-Base interactions energy: -118.671
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.120
local terms energy: -54.221794
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -13.461
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: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -176.350837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.350837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.364954 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.000
local terms energy: -45.546789
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -6.592
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -13.462
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -164.478869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.478869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.519979 (E_RNA)
where:
Base-Base interactions energy: -114.285
where: short stacking energy: -47.288
Base-Backbone interact. energy: -0.166
local terms energy: -50.068738
where:
bonds (distance) C4'-P energy: -6.221
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -12.612
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -166.349393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.349393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.424657 (E_RNA)
where:
Base-Base interactions energy: -120.127
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.022
local terms energy: -46.275416
where:
bonds (distance) C4'-P energy: -6.053
bonds (distance) P-C4' energy: -6.784
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -15.464
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: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -194.042656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.042656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.042656 (E_RNA)
where:
Base-Base interactions energy: -135.257
where: short stacking energy: -65.378
Base-Backbone interact. energy: -0.001
local terms energy: -58.784680
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -17.101
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: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -192.072150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.072150 (E_RNA)
where:
Base-Base interactions energy: -132.187
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.414
local terms energy: -59.471496
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -16.436
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: 309
Temperature: 1.000000
Total energy: -188.712090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.712090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.712090 (E_RNA)
where:
Base-Base interactions energy: -130.056
where: short stacking energy: -62.642
Base-Backbone interact. energy: 0.624
local terms energy: -59.279987
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -15.373
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: 309
Temperature: 1.050000
Total energy: -188.677687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.701615 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.004
local terms energy: -60.473534
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.571
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: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -181.099051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.099051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.174842 (E_RNA)
where:
Base-Base interactions energy: -129.726
where: short stacking energy: -55.948
Base-Backbone interact. energy: 0.705
local terms energy: -52.154508
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -13.718
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: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -183.116768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.116768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.178835 (E_RNA)
where:
Base-Base interactions energy: -123.141
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.270
local terms energy: -59.768486
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -14.612
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: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -169.542417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.542417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.542417 (E_RNA)
where:
Base-Base interactions energy: -110.368
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.027
local terms energy: -59.147330
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -170.052046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.052046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.207263 (E_RNA)
where:
Base-Base interactions energy: -122.984
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.345
local terms energy: -46.877686
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -6.807
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -11.647
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: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -164.886523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.886523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.887664 (E_RNA)
where:
Base-Base interactions energy: -118.795
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.020
local terms energy: -46.072500
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -11.434
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: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -174.147077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.147077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.221702 (E_RNA)
where:
Base-Base interactions energy: -124.380
where: short stacking energy: -58.300
Base-Backbone interact. energy: -0.241
local terms energy: -49.600340
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -13.738
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: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -195.246478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.246478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.246478 (E_RNA)
where:
Base-Base interactions energy: -130.799
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.001
local terms energy: -64.446157
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.582
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: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -187.661435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.661435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.673183 (E_RNA)
where:
Base-Base interactions energy: -130.306
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.005
local terms energy: -57.362733
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -15.812
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: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -183.496138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.496138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.524304 (E_RNA)
where:
Base-Base interactions energy: -125.669
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.836
local terms energy: -57.019555
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -10.856
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: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -185.424273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424273 (E_RNA)
where:
Base-Base interactions energy: -125.309
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.424
local terms energy: -59.691008
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -13.116
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: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -183.454010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.502908 (E_RNA)
where:
Base-Base interactions energy: -126.956
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.006
local terms energy: -56.540484
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -13.938
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -179.807751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.807751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.846743 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.010
local terms energy: -54.744872
where:
bonds (distance) C4'-P energy: -6.732
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -14.587
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: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -175.255623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.255623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.356307 (E_RNA)
where:
Base-Base interactions energy: -122.015
where: short stacking energy: -44.929
Base-Backbone interact. energy: -0.190
local terms energy: -53.151111
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -13.058
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: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -166.246249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.246249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.370182 (E_RNA)
where:
Base-Base interactions energy: -118.408
where: short stacking energy: -43.785
Base-Backbone interact. energy: 2.116
local terms energy: -50.077488
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -11.528
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: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -167.101382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.101382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.271185 (E_RNA)
where:
Base-Base interactions energy: -113.155
where: short stacking energy: -42.371
Base-Backbone interact. energy: -0.006
local terms energy: -54.110382
where:
bonds (distance) C4'-P energy: -6.904
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -15.490
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: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -160.667365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.667365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.755695 (E_RNA)
where:
Base-Base interactions energy: -112.644
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.010
local terms energy: -48.101255
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -8.596
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -7.808
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -190.042768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.042768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.193079 (E_RNA)
where:
Base-Base interactions energy: -132.305
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.048
local terms energy: -57.840463
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -15.170
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: 311
Temperature: 0.950000
Total energy: -192.821290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.821290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.861040 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.518
local terms energy: -59.497509
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -14.718
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: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -175.053249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.053249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.291334 (E_RNA)
where:
Base-Base interactions energy: -120.609
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.120
local terms energy: -54.562984
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -10.913
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: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -182.745183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.745183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.867303 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.023
local terms energy: -54.460342
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -11.681
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: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -180.343900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.343900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.380932 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -59.214
Base-Backbone interact. energy: -0.104
local terms energy: -57.028617
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.744
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: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -177.522815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.522815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.527205 (E_RNA)
where:
Base-Base interactions energy: -117.460
where: short stacking energy: -50.127
Base-Backbone interact. energy: -0.072
local terms energy: -59.995320
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -13.904
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -172.998495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.998495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.003430 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.052
local terms energy: -53.793981
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -11.085
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: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -166.854997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.854997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.902059 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.904
local terms energy: -48.017638
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -8.178
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -163.864880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.864880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.047805 (E_RNA)
where:
Base-Base interactions energy: -113.093
where: short stacking energy: -48.380
Base-Backbone interact. energy: -0.110
local terms energy: -50.845117
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.739
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: 311
Temperature: 1.350000
Total energy: -158.513078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.513078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.535061 (E_RNA)
where:
Base-Base interactions energy: -107.364
where: short stacking energy: -45.411
Base-Backbone interact. energy: -0.016
local terms energy: -51.155736
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -10.129
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: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -195.586744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.586744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.748055 (E_RNA)
where:
Base-Base interactions energy: -129.261
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.001
local terms energy: -66.486492
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -18.584
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: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -192.966033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.966033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.966033 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -59.515
Base-Backbone interact. energy: -0.051
local terms energy: -59.160351
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -17.009
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: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -185.474130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.527322 (E_RNA)
where:
Base-Base interactions energy: -126.349
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.782
local terms energy: -58.396459
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -15.302
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: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -187.143027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.143027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.145044 (E_RNA)
where:
Base-Base interactions energy: -124.244
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.000
local terms energy: -62.900497
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.002 (S_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: 312
Temperature: 1.100000
Total energy: -184.393886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.393886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.393886 (E_RNA)
where:
Base-Base interactions energy: -126.126
where: short stacking energy: -58.856
Base-Backbone interact. energy: -0.097
local terms energy: -58.170952
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -180.127796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.127796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.127796 (E_RNA)
where:
Base-Base interactions energy: -122.356
where: short stacking energy: -55.350
Base-Backbone interact. energy: -0.003
local terms energy: -57.769652
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.587
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -169.544756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.544756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553963 (E_RNA)
where:
Base-Base interactions energy: -119.819
where: short stacking energy: -50.466
Base-Backbone interact. energy: -0.271
local terms energy: -49.464131
where:
bonds (distance) C4'-P energy: -3.271
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -15.824
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: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -170.819367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.819367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964128 (E_RNA)
where:
Base-Base interactions energy: -124.234
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.011
local terms energy: -46.718931
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -13.422
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -165.411703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.411703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653654 (E_RNA)
where:
Base-Base interactions energy: -114.063
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.096
local terms energy: -51.494569
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -12.069
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -160.515518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.515518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.658481 (E_RNA)
where:
Base-Base interactions energy: -107.707
where: short stacking energy: -41.563
Base-Backbone interact. energy: -0.045
local terms energy: -52.906337
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -8.231
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: 313
Temperature: 0.900000
Total energy: -189.792228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.792228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.869335 (E_RNA)
where:
Base-Base interactions energy: -128.987
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.037
local terms energy: -60.845592
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -14.783
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: 313
Temperature: 0.950000
Total energy: -192.840337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.840337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.850754 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.000
local terms energy: -60.296006
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -17.760
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: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -192.786010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.786010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826458 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.000
local terms energy: -61.830644
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.715
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: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -190.379035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.522397 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.003
local terms energy: -62.156686
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -14.042
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: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -170.722591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.722591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.759853 (E_RNA)
where:
Base-Base interactions energy: -123.508
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.103
local terms energy: -47.149444
where:
bonds (distance) C4'-P energy: -4.016
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -17.089
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: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -176.971641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.971641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.143883 (E_RNA)
where:
Base-Base interactions energy: -121.359
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.233
local terms energy: -55.552406
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -11.131
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: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -177.349181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.349181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.394935 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.066
local terms energy: -58.020264
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -12.703
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: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -177.789719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.789719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.813233 (E_RNA)
where:
Base-Base interactions energy: -117.226
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.001
local terms energy: -60.586783
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -15.242
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: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -163.425988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.425988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.425988 (E_RNA)
where:
Base-Base interactions energy: -118.955
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.233
local terms energy: -44.238005
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -5.428
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -161.101796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.101796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.131739 (E_RNA)
where:
Base-Base interactions energy: -116.781
where: short stacking energy: -47.317
Base-Backbone interact. energy: -0.138
local terms energy: -44.213365
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -1.937
tors. eta vs tors. theta energy: -9.882
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: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -193.655109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655109 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.077
local terms energy: -64.125356
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -16.512
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -190.541460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.541460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.584409 (E_RNA)
where:
Base-Base interactions energy: -130.462
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.021
local terms energy: -60.101072
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -17.833
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: 314
Temperature: 1.000000
Total energy: -181.188353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.188353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.269780 (E_RNA)
where:
Base-Base interactions energy: -122.379
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.010
local terms energy: -58.880663
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -13.088
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: 314
Temperature: 1.050000
Total energy: -185.552770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.552770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.575077 (E_RNA)
where:
Base-Base interactions energy: -132.653
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.001
local terms energy: -52.920659
where:
bonds (distance) C4'-P energy: -4.461
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -16.662
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: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -174.214303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.214303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.214303 (E_RNA)
where:
Base-Base interactions energy: -120.598
where: short stacking energy: -51.562
Base-Backbone interact. energy: -0.012
local terms energy: -53.603937
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -176.116347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.282948 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.056
local terms energy: -49.371800
where:
bonds (distance) C4'-P energy: -6.890
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -12.049
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: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -168.041049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.041049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070728 (E_RNA)
where:
Base-Base interactions energy: -121.726
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.186
local terms energy: -46.158992
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -11.151
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: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -177.744320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.744320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001410 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.011
local terms energy: -55.059803
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -15.205
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: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -172.082757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.082757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287760 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -51.666
Base-Backbone interact. energy: -0.021
local terms energy: -48.343723
where:
bonds (distance) C4'-P energy: -5.879
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -11.855
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: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -159.924113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.924113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.986779 (E_RNA)
where:
Base-Base interactions energy: -107.089
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.082
local terms energy: -52.815996
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -11.484
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: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -200.920054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.930696 (E_RNA)
where:
Base-Base interactions energy: -133.882
where: short stacking energy: -62.078
Base-Backbone interact. energy: 0.493
local terms energy: -67.541415
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -17.072
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -186.842093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.842093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.842093 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.003
local terms energy: -61.244260
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -187.541320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.541320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630499 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.004
local terms energy: -60.475408
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -13.906
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: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -184.451892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.451892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478126 (E_RNA)
where:
Base-Base interactions energy: -132.435
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.005
local terms energy: -52.038913
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -13.560
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: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -177.024058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.054868 (E_RNA)
where:
Base-Base interactions energy: -127.063
where: short stacking energy: -52.702
Base-Backbone interact. energy: 1.072
local terms energy: -51.064131
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -10.183
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: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -181.033814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.033814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.033814 (E_RNA)
where:
Base-Base interactions energy: -125.390
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.411
local terms energy: -55.232296
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -13.729
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -173.509507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.509507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.555063 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.006
local terms energy: -50.036504
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -12.039
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: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -179.662467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662467 (E_RNA)
where:
Base-Base interactions energy: -126.874
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.003
local terms energy: -52.785348
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -159.725671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.725671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.738867 (E_RNA)
where:
Base-Base interactions energy: -115.580
where: short stacking energy: -47.695
Base-Backbone interact. energy: -0.021
local terms energy: -44.137531
where:
bonds (distance) C4'-P energy: -7.117
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -5.216
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -10.183
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: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -166.094963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094963 (E_RNA)
where:
Base-Base interactions energy: -106.924
where: short stacking energy: -48.284
Base-Backbone interact. energy: -0.038
local terms energy: -59.132844
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -190.665670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.665670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.808360 (E_RNA)
where:
Base-Base interactions energy: -131.978
where: short stacking energy: -61.593
Base-Backbone interact. energy: 0.746
local terms energy: -59.576887
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -14.551
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -191.807504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.807504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.859524 (E_RNA)
where:
Base-Base interactions energy: -130.624
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.002
local terms energy: -61.233701
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -13.546
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: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -189.466316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.466316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.486535 (E_RNA)
where:
Base-Base interactions energy: -125.818
where: short stacking energy: -60.326
Base-Backbone interact. energy: -0.011
local terms energy: -63.657624
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.020 (S_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: 316
Temperature: 1.050000
Total energy: -180.860397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.860397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.125486 (E_RNA)
where:
Base-Base interactions energy: -124.844
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.010
local terms energy: -56.271793
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -14.182
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -180.738011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.808264 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -60.303
Base-Backbone interact. energy: -0.080
local terms energy: -56.052170
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -14.430
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -182.915753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.915753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.961495 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.001
local terms energy: -59.282246
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -13.835
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: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -172.780547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.796606 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.027
local terms energy: -51.721217
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -10.660
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: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -176.980398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.980398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.216748 (E_RNA)
where:
Base-Base interactions energy: -121.624
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.001
local terms energy: -55.591385
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -13.101
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -168.648093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.648093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.717378 (E_RNA)
where:
Base-Base interactions energy: -109.009
where: short stacking energy: -52.547
Base-Backbone interact. energy: 0.990
local terms energy: -60.698296
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -16.337
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: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -168.289169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.289169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.395913 (E_RNA)
where:
Base-Base interactions energy: -112.037
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.017
local terms energy: -56.341791
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -13.039
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: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -194.512412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.512412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.530869 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -61.721
Base-Backbone interact. energy: -0.669
local terms energy: -59.830873
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -15.781
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: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -191.536549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.536549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.536549 (E_RNA)
where:
Base-Base interactions energy: -130.875
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.659
local terms energy: -60.002447
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.826
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: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -185.814971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.814971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822863 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.000
local terms energy: -55.564576
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -16.237
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: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -185.518661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.518661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547346 (E_RNA)
where:
Base-Base interactions energy: -126.015
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.029
local terms energy: -59.503578
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -12.770
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: 317
Temperature: 1.100000
Total energy: -178.530687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.594818 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.000
local terms energy: -52.278598
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -12.951
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: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -182.299439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.299439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.344539 (E_RNA)
where:
Base-Base interactions energy: -123.628
where: short stacking energy: -56.549
Base-Backbone interact. energy: -0.011
local terms energy: -58.705622
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -13.506
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: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -169.686036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899751 (E_RNA)
where:
Base-Base interactions energy: -118.353
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.001
local terms energy: -51.545195
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -10.289
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: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -156.520461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.520461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.595904 (E_RNA)
where:
Base-Base interactions energy: -112.988
where: short stacking energy: -47.948
Base-Backbone interact. energy: -0.074
local terms energy: -43.534266
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -8.824
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: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -171.509880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.509880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.711013 (E_RNA)
where:
Base-Base interactions energy: -113.364
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.578
local terms energy: -57.769384
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -11.964
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: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -164.647643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.647643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.724031 (E_RNA)
where:
Base-Base interactions energy: -114.111
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.002
local terms energy: -50.611318
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -11.017
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: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -188.996689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.996689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.015192 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.000
local terms energy: -62.236501
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -14.969
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: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -193.371907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.371907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371907 (E_RNA)
where:
Base-Base interactions energy: -127.568
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.074
local terms energy: -65.729194
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -15.700
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -191.466901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.466901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.531482 (E_RNA)
where:
Base-Base interactions energy: -131.139
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.012
local terms energy: -60.380319
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -16.244
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: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -190.498155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.498155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.532774 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.004
local terms energy: -61.851671
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -17.253
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -186.862843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.862843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.862843 (E_RNA)
where:
Base-Base interactions energy: -125.922
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.009
local terms energy: -60.932323
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -188.350940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.540870 (E_RNA)
where:
Base-Base interactions energy: -125.675
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.484
local terms energy: -62.382257
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -17.184
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: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -178.814382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.814382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.908172 (E_RNA)
where:
Base-Base interactions energy: -118.593
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.126
local terms energy: -60.189664
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -14.752
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: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -165.063784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.112636 (E_RNA)
where:
Base-Base interactions energy: -115.145
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.318
local terms energy: -49.648706
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -8.152
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -168.313088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.313088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.350588 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -51.424
Base-Backbone interact. energy: -0.188
local terms energy: -52.900510
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -10.047
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -159.638252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.638252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.638252 (E_RNA)
where:
Base-Base interactions energy: -105.972
where: short stacking energy: -49.772
Base-Backbone interact. energy: -1.625
local terms energy: -52.040561
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -195.213086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.213086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.237460 (E_RNA)
where:
Base-Base interactions energy: -134.455
where: short stacking energy: -62.111
Base-Backbone interact. energy: -0.000
local terms energy: -60.782395
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -16.042
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: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -193.310519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.310519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332521 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.005
local terms energy: -62.742400
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -18.157
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -184.611569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.611569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.611569 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.042
local terms energy: -58.936222
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -13.762
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: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -180.953486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.953486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.023832 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -54.703
Base-Backbone interact. energy: 0.930
local terms energy: -57.071957
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -7.938
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -15.364
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: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -184.401720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.401720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.418570 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -58.295
Base-Backbone interact. energy: -0.034
local terms energy: -55.277328
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -12.488
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: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -180.884332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.884332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.965294 (E_RNA)
where:
Base-Base interactions energy: -124.382
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.017
local terms energy: -56.565951
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -15.974
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: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -177.337568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.337568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.372771 (E_RNA)
where:
Base-Base interactions energy: -124.727
where: short stacking energy: -51.966
Base-Backbone interact. energy: -0.061
local terms energy: -52.584837
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -14.359
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: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -163.401504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.401504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.401504 (E_RNA)
where:
Base-Base interactions energy: -116.942
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.044
local terms energy: -46.415556
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -6.717
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -167.298303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.298303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.327212 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.075
local terms energy: -44.763170
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -12.054
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: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -159.419411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.419411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.471026 (E_RNA)
where:
Base-Base interactions energy: -109.578
where: short stacking energy: -42.755
Base-Backbone interact. energy: -0.051
local terms energy: -49.841832
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -12.310
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: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -196.320727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.320727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.535037 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.042
local terms energy: -64.362412
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -17.363
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: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -192.818333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.856516 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.052
local terms energy: -61.122375
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -12.367
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: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -188.947685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.947685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.116552 (E_RNA)
where:
Base-Base interactions energy: -128.310
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.221
local terms energy: -60.586250
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -16.035
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: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -189.305230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.305230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.305230 (E_RNA)
where:
Base-Base interactions energy: -130.173
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.002
local terms energy: -59.129871
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -13.856
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -181.816362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.816362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868950 (E_RNA)
where:
Base-Base interactions energy: -122.697
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.003
local terms energy: -59.168276
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -16.607
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: 320
Temperature: 1.150000
Total energy: -181.904940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.904940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.904940 (E_RNA)
where:
Base-Base interactions energy: -125.974
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.186
local terms energy: -55.745514
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -14.204
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: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -171.596353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.596353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.630824 (E_RNA)
where:
Base-Base interactions energy: -121.529
where: short stacking energy: -47.843
Base-Backbone interact. energy: -0.633
local terms energy: -49.468569
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -7.733
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: 320
Temperature: 1.250000
Total energy: -166.250626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.250626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.295597 (E_RNA)
where:
Base-Base interactions energy: -116.078
where: short stacking energy: -47.873
Base-Backbone interact. energy: -0.001
local terms energy: -50.217264
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -7.507
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -11.141
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: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -160.234108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.234108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.565679 (E_RNA)
where:
Base-Base interactions energy: -118.435
where: short stacking energy: -52.947
Base-Backbone interact. energy: -0.015
local terms energy: -42.116425
where:
bonds (distance) C4'-P energy: -4.488
bonds (distance) P-C4' energy: -9.566
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -11.942
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: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -174.998898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.998898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.000361 (E_RNA)
where:
Base-Base interactions energy: -124.834
where: short stacking energy: -57.263
Base-Backbone interact. energy: -0.016
local terms energy: -50.149897
where:
bonds (distance) C4'-P energy: -4.599
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -13.779
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: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -190.401353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.401353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.452433 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.001
local terms energy: -54.540289
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -12.399
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -196.160950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.160950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.160950 (E_RNA)
where:
Base-Base interactions energy: -132.363
where: short stacking energy: -58.576
Base-Backbone interact. energy: -0.000
local terms energy: -63.797552
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -17.977
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -187.198464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.198464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.234298 (E_RNA)
where:
Base-Base interactions energy: -125.694
where: short stacking energy: -59.472
Base-Backbone interact. energy: -0.035
local terms energy: -61.505133
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -14.281
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: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -187.126567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.126567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.381303 (E_RNA)
where:
Base-Base interactions energy: -128.101
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.001
local terms energy: -59.280067
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -16.028
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: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -186.752333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.752333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859874 (E_RNA)
where:
Base-Base interactions energy: -125.674
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.004
local terms energy: -61.182040
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -17.011
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -178.876534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.876534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.876534 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.006
local terms energy: -53.377328
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -14.735
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: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -168.574524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.574524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.577995 (E_RNA)
where:
Base-Base interactions energy: -116.036
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.045
local terms energy: -52.496823
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -13.691
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: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -177.490672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.490672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.603077 (E_RNA)
where:
Base-Base interactions energy: -125.809
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.043
local terms energy: -51.750883
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -12.397
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -170.630097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.630097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.630097 (E_RNA)
where:
Base-Base interactions energy: -120.810
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.003
local terms energy: -49.817347
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -8.785
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -155.581223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.581223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.680210 (E_RNA)
where:
Base-Base interactions energy: -106.266
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.100
local terms energy: -49.314405
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -7.420
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: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -191.131617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.131617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.136896 (E_RNA)
where:
Base-Base interactions energy: -127.315
where: short stacking energy: -57.297
Base-Backbone interact. energy: 0.110
local terms energy: -63.932492
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -16.683
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -181.951266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.967148 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -54.881
Base-Backbone interact. energy: -0.722
local terms energy: -55.801613
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -11.486
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -192.046827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.046827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.056007 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -59.191
Base-Backbone interact. energy: -0.072
local terms energy: -57.537589
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -12.999
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: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -180.526827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.572241 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.038
local terms energy: -52.041144
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -14.878
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: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -181.708653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.818075 (E_RNA)
where:
Base-Base interactions energy: -121.720
where: short stacking energy: -51.537
Base-Backbone interact. energy: -0.046
local terms energy: -60.052144
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -15.514
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -171.827494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.909605 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -54.371
Base-Backbone interact. energy: 0.962
local terms energy: -52.589492
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -10.468
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: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -178.467745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.467745 (E_RNA)
where:
Base-Base interactions energy: -127.646
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.000
local terms energy: -50.822030
where:
bonds (distance) C4'-P energy: -6.875
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -172.860159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.860159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.919491 (E_RNA)
where:
Base-Base interactions energy: -119.234
where: short stacking energy: -49.614
Base-Backbone interact. energy: -0.039
local terms energy: -53.646417
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -8.377
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -13.297
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -176.646767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.646767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.818849 (E_RNA)
where:
Base-Base interactions energy: -120.571
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.001
local terms energy: -56.247248
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.620
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -163.072263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.072263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.072263 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -50.996
Base-Backbone interact. energy: -0.512
local terms energy: -50.915157
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -187.876881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.876881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.002023 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.005
local terms energy: -58.871820
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.621
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: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -189.363984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.363984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.444526 (E_RNA)
where:
Base-Base interactions energy: -133.264
where: short stacking energy: -51.269
Base-Backbone interact. energy: -0.091
local terms energy: -56.089709
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -10.559
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: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -185.915700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.915700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.915700 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -52.665
Base-Backbone interact. energy: -0.004
local terms energy: -62.967087
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -14.783
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: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -182.314703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.314703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.322990 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -55.653
Base-Backbone interact. energy: 0.305
local terms energy: -56.127399
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -13.393
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: 5, replica: 9
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -176.056671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.056671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.163414 (E_RNA)
where:
Base-Base interactions energy: -121.080
where: short stacking energy: -51.986
Base-Backbone interact. energy: -0.005
local terms energy: -55.078593
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -13.582
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: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -160.670218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.670218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.741161 (E_RNA)
where:
Base-Base interactions energy: -123.411
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.173
local terms energy: -37.157692
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: 0.460
tors. eta vs tors. theta energy: -8.953
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: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -181.152459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.152459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.163877 (E_RNA)
where:
Base-Base interactions energy: -129.530
where: short stacking energy: -56.240
Base-Backbone interact. energy: -0.011
local terms energy: -51.623085
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -10.813
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: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -175.084582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.084582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.225044 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.003
local terms energy: -48.695264
where:
bonds (distance) C4'-P energy: -7.155
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -14.424
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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -168.499166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.499166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.512907 (E_RNA)
where:
Base-Base interactions energy: -117.526
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.013
local terms energy: -50.973895
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -12.098
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -165.082622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.082622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.164458 (E_RNA)
where:
Base-Base interactions energy: -114.716
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.000
local terms energy: -50.448613
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -12.533
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -191.699800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.699800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.735614 (E_RNA)
where:
Base-Base interactions energy: -133.308
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.449
local terms energy: -57.979397
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -11.171
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: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -191.446302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.488053 (E_RNA)
where:
Base-Base interactions energy: -128.870
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.076
local terms energy: -62.542251
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -10.047
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -16.387
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: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -186.717349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.717349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875005 (E_RNA)
where:
Base-Base interactions energy: -126.965
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.000
local terms energy: -59.909624
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -16.050
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: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -178.127321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.127321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.190966 (E_RNA)
where:
Base-Base interactions energy: -126.801
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.012
local terms energy: -51.378116
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -9.780
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: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -180.540080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.540080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.629763 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -52.184
Base-Backbone interact. energy: -0.032
local terms energy: -53.621883
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -12.140
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: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -175.454178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.454178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.454178 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.017
local terms energy: -57.530481
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -11.724
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -182.233949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.233949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.270215 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.006
local terms energy: -55.002596
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -4.329
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.940
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: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -165.460559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.460559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.505173 (E_RNA)
where:
Base-Base interactions energy: -120.525
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.345
local terms energy: -44.634915
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -8.084
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -175.412098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.412098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.428728 (E_RNA)
where:
Base-Base interactions energy: -121.757
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.044
local terms energy: -53.628018
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -14.659
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -160.058313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.058313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.218747 (E_RNA)
where:
Base-Base interactions energy: -108.214
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.013
local terms energy: -51.991786
where:
bonds (distance) C4'-P energy: -7.234
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -12.149
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: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -194.528699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565090 (E_RNA)
where:
Base-Base interactions energy: -132.262
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.037
local terms energy: -62.266369
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.437
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: 325
Temperature: 0.950000
Total energy: -191.772803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.772803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772803 (E_RNA)
where:
Base-Base interactions energy: -126.505
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.032
local terms energy: -65.236254
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -187.281504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.281504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.339555 (E_RNA)
where:
Base-Base interactions energy: -123.654
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.044
local terms energy: -63.641815
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -15.973
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -183.767314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767314 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.078
local terms energy: -54.433805
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -10.131
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: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -182.097470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.097470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.142717 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -55.748
Base-Backbone interact. energy: -0.338
local terms energy: -57.373921
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -13.874
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -180.076466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.182867 (E_RNA)
where:
Base-Base interactions energy: -126.523
where: short stacking energy: -53.931
Base-Backbone interact. energy: -0.072
local terms energy: -53.588611
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -12.496
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: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -177.154986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.154986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.188309 (E_RNA)
where:
Base-Base interactions energy: -124.695
where: short stacking energy: -50.323
Base-Backbone interact. energy: -0.177
local terms energy: -52.316442
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -11.032
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -174.846653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.846653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075608 (E_RNA)
where:
Base-Base interactions energy: -124.528
where: short stacking energy: -54.247
Base-Backbone interact. energy: 0.281
local terms energy: -50.828028
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -11.542
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: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -165.862277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.862277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.115357 (E_RNA)
where:
Base-Base interactions energy: -116.976
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.124
local terms energy: -49.014407
where:
bonds (distance) C4'-P energy: -7.957
bonds (distance) P-C4' energy: -6.509
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -13.664
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: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -159.309194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.309194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.364773 (E_RNA)
where:
Base-Base interactions energy: -107.299
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.106
local terms energy: -51.959171
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -13.130
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: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -188.874290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912822 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.019
local terms energy: -57.631920
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -17.253
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: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -192.997337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.997337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.997337 (E_RNA)
where:
Base-Base interactions energy: -130.793
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.006
local terms energy: -62.198401
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.714
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: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -193.452681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.452681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.452681 (E_RNA)
where:
Base-Base interactions energy: -134.723
where: short stacking energy: -55.699
Base-Backbone interact. energy: -0.505
local terms energy: -58.224700
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -12.688
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: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -188.041531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.041531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.047897 (E_RNA)
where:
Base-Base interactions energy: -126.198
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.000
local terms energy: -61.849449
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -16.882
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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -179.297128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.297128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.297220 (E_RNA)
where:
Base-Base interactions energy: -125.266
where: short stacking energy: -55.151
Base-Backbone interact. energy: -0.943
local terms energy: -53.088452
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -176.145134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.145134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.198530 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -56.253
Base-Backbone interact. energy: -0.003
local terms energy: -53.356226
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -14.950
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: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -179.641195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.793275 (E_RNA)
where:
Base-Base interactions energy: -126.100
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.645
local terms energy: -53.048075
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -6.045
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.173
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -171.530719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.530719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.530719 (E_RNA)
where:
Base-Base interactions energy: -117.326
where: short stacking energy: -45.256
Base-Backbone interact. energy: -0.031
local terms energy: -54.173406
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -171.953221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.953221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975491 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.175
local terms energy: -49.844499
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -12.850
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: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -157.399300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.399300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.747611 (E_RNA)
where:
Base-Base interactions energy: -103.758
where: short stacking energy: -44.050
Base-Backbone interact. energy: -0.003
local terms energy: -53.986607
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -14.519
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: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -194.268621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.268621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.280566 (E_RNA)
where:
Base-Base interactions energy: -135.493
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.000
local terms energy: -58.787814
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -14.841
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: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -195.829263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.829263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.849521 (E_RNA)
where:
Base-Base interactions energy: -136.419
where: short stacking energy: -54.693
Base-Backbone interact. energy: -1.629
local terms energy: -57.801917
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -191.192352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.227384 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.057
local terms energy: -58.208907
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -14.840
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: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -190.288100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.288100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.288561 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.006
local terms energy: -63.136167
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -17.978
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -173.135073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.272913 (E_RNA)
where:
Base-Base interactions energy: -120.891
where: short stacking energy: -53.714
Base-Backbone interact. energy: -0.006
local terms energy: -52.376071
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -11.645
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: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -179.120520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.120520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.187241 (E_RNA)
where:
Base-Base interactions energy: -122.507
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.468
local terms energy: -56.211990
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -11.655
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: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -178.010522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.010522 (E_RNA)
where:
Base-Base interactions energy: -125.367
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.063
local terms energy: -52.580899
where:
bonds (distance) C4'-P energy: -6.542
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -172.153512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.153512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.173590 (E_RNA)
where:
Base-Base interactions energy: -117.902
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.414
local terms energy: -53.857262
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -14.080
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. 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: -174.524837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.524837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.598789 (E_RNA)
where:
Base-Base interactions energy: -118.367
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.001
local terms energy: -56.230893
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -15.389
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: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -167.709631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.709631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.093451 (E_RNA)
where:
Base-Base interactions energy: -118.297
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.015
local terms energy: -49.782104
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -13.333
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: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -191.711324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.711324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.726881 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -52.962
Base-Backbone interact. energy: -0.274
local terms energy: -55.832413
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -11.269
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: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -189.722611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.722611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.756543 (E_RNA)
where:
Base-Base interactions energy: -130.882
where: short stacking energy: -62.409
Base-Backbone interact. energy: -0.000
local terms energy: -58.874345
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -13.419
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -191.282531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.282531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370779 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -58.466
Base-Backbone interact. energy: 0.203
local terms energy: -58.689902
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -15.678
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: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -189.084376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.084376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.107877 (E_RNA)
where:
Base-Base interactions energy: -127.764
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.002
local terms energy: -61.341886
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -13.577
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: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -180.131023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.131023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.131023 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.077
local terms energy: -56.906426
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -175.262144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.262144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.262144 (E_RNA)
where:
Base-Base interactions energy: -120.584
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.249
local terms energy: -54.428342
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -9.753
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: 328
Temperature: 1.200000
Total energy: -170.728579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.728579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.728579 (E_RNA)
where:
Base-Base interactions energy: -124.121
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.254
local terms energy: -46.353076
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -174.560025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.560025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.602772 (E_RNA)
where:
Base-Base interactions energy: -120.462
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.075
local terms energy: -54.065887
where:
bonds (distance) C4'-P energy: -4.831
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -14.932
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: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -162.419952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.419952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.419952 (E_RNA)
where:
Base-Base interactions energy: -106.880
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.009
local terms energy: -55.530660
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -169.505288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.505288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.587331 (E_RNA)
where:
Base-Base interactions energy: -119.534
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.003
local terms energy: -50.050356
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -14.680
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: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -193.120500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.120500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.140974 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.632
local terms energy: -55.700270
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -195.229044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.229044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.241397 (E_RNA)
where:
Base-Base interactions energy: -132.221
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.004
local terms energy: -63.016325
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.378
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: 329
Temperature: 1.000000
Total energy: -188.369540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.369540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.451665 (E_RNA)
where:
Base-Base interactions energy: -128.283
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.006
local terms energy: -60.162800
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -17.060
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: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -178.199760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.199760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.218459 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.197
local terms energy: -52.649365
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -12.156
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: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -174.557567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.557567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.865039 (E_RNA)
where:
Base-Base interactions energy: -121.719
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.004
local terms energy: -53.141737
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -11.053
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: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -176.593059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.593059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.593059 (E_RNA)
where:
Base-Base interactions energy: -123.265
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.005
local terms energy: -53.322995
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -15.496
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -164.109746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.172554 (E_RNA)
where:
Base-Base interactions energy: -114.429
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.101
local terms energy: -49.642910
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -10.213
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: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -173.686238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.686238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.841352 (E_RNA)
where:
Base-Base interactions energy: -121.198
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.016
local terms energy: -52.627609
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -7.114
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -13.841
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: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -164.469417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.469417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.597309 (E_RNA)
where:
Base-Base interactions energy: -114.524
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.039
local terms energy: -50.034942
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -10.460
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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -160.918186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.918186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.039664 (E_RNA)
where:
Base-Base interactions energy: -114.646
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.001
local terms energy: -46.392275
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -3.918
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -10.030
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: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -193.207192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.207192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.207192 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -55.378
Base-Backbone interact. energy: -0.043
local terms energy: -58.581163
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.470
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: 330
Temperature: 0.950000
Total energy: -190.427098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.427098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.580029 (E_RNA)
where:
Base-Base interactions energy: -130.832
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.070
local terms energy: -59.678607
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -16.074
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: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -192.072567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.109902 (E_RNA)
where:
Base-Base interactions energy: -132.241
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.002
local terms energy: -59.866777
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -15.339
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: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -171.538447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.538447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.689966 (E_RNA)
where:
Base-Base interactions energy: -120.626
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.010
local terms energy: -51.053629
where:
bonds (distance) C4'-P energy: -5.336
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -11.326
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -188.469640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.469640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.581472 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.011
local terms energy: -63.411779
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -17.130
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: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -172.522903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.652994 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.002
local terms energy: -56.633444
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -11.707
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: 330
Temperature: 1.200000
Total energy: -173.672896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.672896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.677477 (E_RNA)
where:
Base-Base interactions energy: -122.046
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.000
local terms energy: -51.631322
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -11.348
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: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -164.691773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.691773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.750051 (E_RNA)
where:
Base-Base interactions energy: -115.032
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.068
local terms energy: -49.649791
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -12.746
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: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -165.306554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.306554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.522375 (E_RNA)
where:
Base-Base interactions energy: -113.450
where: short stacking energy: -51.228
Base-Backbone interact. energy: -0.329
local terms energy: -51.743245
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -8.506
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -15.116
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -164.597519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.597519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.832588 (E_RNA)
where:
Base-Base interactions energy: -117.357
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.000
local terms energy: -47.474875
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -14.624
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: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -195.389815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.392729 (E_RNA)
where:
Base-Base interactions energy: -137.779
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.044
local terms energy: -57.570034
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -11.954
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: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -187.454429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.454429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.487835 (E_RNA)
where:
Base-Base interactions energy: -127.990
where: short stacking energy: -60.388
Base-Backbone interact. energy: 0.526
local terms energy: -60.023967
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -14.025
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: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -188.355325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.355325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.519723 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -61.248
Base-Backbone interact. energy: -0.058
local terms energy: -62.393421
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -16.731
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -183.751926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.751926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.830819 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.024
local terms energy: -55.516003
where:
bonds (distance) C4'-P energy: -7.684
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -14.334
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -173.957165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.957165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.042611 (E_RNA)
where:
Base-Base interactions energy: -128.634
where: short stacking energy: -49.134
Base-Backbone interact. energy: -0.135
local terms energy: -45.273889
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -10.923
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -178.469171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.469171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.523552 (E_RNA)
where:
Base-Base interactions energy: -120.079
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.074
local terms energy: -58.369980
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -14.354
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -167.218182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.218182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.220877 (E_RNA)
where:
Base-Base interactions energy: -115.574
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.001
local terms energy: -51.645679
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.914
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: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -170.830859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.830859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.832326 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -54.703
Base-Backbone interact. energy: -0.020
local terms energy: -49.617590
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -14.543
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: 331
Temperature: 1.300000
Total energy: -167.527209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.534127 (E_RNA)
where:
Base-Base interactions energy: -114.387
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.041
local terms energy: -53.106199
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -11.797
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -158.654656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.654656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.654656 (E_RNA)
where:
Base-Base interactions energy: -112.562
where: short stacking energy: -45.364
Base-Backbone interact. energy: -0.133
local terms energy: -45.959023
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -191.692520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.692520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.734793 (E_RNA)
where:
Base-Base interactions energy: -126.732
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.000
local terms energy: -65.002335
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -15.781
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: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -196.466124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.466124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.579333 (E_RNA)
where:
Base-Base interactions energy: -140.939
where: short stacking energy: -57.826
Base-Backbone interact. energy: 1.211
local terms energy: -56.850718
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -11.721
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -191.927245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.927245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.927245 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.001
local terms energy: -63.603856
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -16.835
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: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -192.727733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.727733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.768486 (E_RNA)
where:
Base-Base interactions energy: -132.979
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.000
local terms energy: -59.789099
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -16.422
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: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -174.951259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.951259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975101 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.462
local terms energy: -54.779231
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -11.443
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -175.125493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.125493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.281983 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.003
local terms energy: -60.262355
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -13.447
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: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -174.240100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.315120 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -51.105
Base-Backbone interact. energy: -0.001
local terms energy: -50.227373
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -11.189
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: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -167.079825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.079825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.401349 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.524
local terms energy: -52.209275
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -10.438
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -160.849426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.849426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.867759 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.411
local terms energy: -50.085253
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -10.978
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: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -164.630200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.630200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.672605 (E_RNA)
where:
Base-Base interactions energy: -125.572
where: short stacking energy: -50.007
Base-Backbone interact. energy: -0.333
local terms energy: -38.767659
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -6.909
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -8.720
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: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -194.351213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.351213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362602 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.000
local terms energy: -60.491140
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -11.948
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: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -190.269932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.269932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.269932 (E_RNA)
where:
Base-Base interactions energy: -133.877
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.086
local terms energy: -56.307189
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -13.657
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -194.583948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666432 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.087
local terms energy: -60.101017
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -13.202
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -185.751032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.751032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.782364 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.044
local terms energy: -61.856708
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -14.476
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: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -172.418188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.418188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.506440 (E_RNA)
where:
Base-Base interactions energy: -118.839
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.276
local terms energy: -53.391428
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -14.031
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: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -183.313908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.313908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.558690 (E_RNA)
where:
Base-Base interactions energy: -124.159
where: short stacking energy: -56.448
Base-Backbone interact. energy: -0.002
local terms energy: -59.398110
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -16.647
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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -186.503971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.503971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521359 (E_RNA)
where:
Base-Base interactions energy: -125.404
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.010
local terms energy: -61.107385
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -15.937
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: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -161.328005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.328005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.446691 (E_RNA)
where:
Base-Base interactions energy: -108.786
where: short stacking energy: -45.865
Base-Backbone interact. energy: -0.006
local terms energy: -52.654919
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -12.783
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -174.706365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.706365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.873233 (E_RNA)
where:
Base-Base interactions energy: -121.626
where: short stacking energy: -56.460
Base-Backbone interact. energy: 0.497
local terms energy: -53.744062
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -14.150
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: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -164.374829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.374829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.483282 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -48.344
Base-Backbone interact. energy: -0.196
local terms energy: -48.361215
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -7.447
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -13.568
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -191.139891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.139891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147027 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.001
local terms energy: -59.484708
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -15.098
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -190.964464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.964464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.032105 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.042
local terms energy: -64.958307
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -15.792
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -186.191288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.191288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.239188 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.402
local terms energy: -57.473204
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -15.600
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: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -184.723795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.723795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862683 (E_RNA)
where:
Base-Base interactions energy: -129.683
where: short stacking energy: -54.656
Base-Backbone interact. energy: -0.121
local terms energy: -55.059155
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -13.623
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: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -179.018379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.108923 (E_RNA)
where:
Base-Base interactions energy: -124.614
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.553
local terms energy: -53.941919
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -12.194
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: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -178.110588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.110588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.165457 (E_RNA)
where:
Base-Base interactions energy: -125.541
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.100
local terms energy: -52.524819
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -10.442
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -172.065969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.065969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.166682 (E_RNA)
where:
Base-Base interactions energy: -116.312
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.567
local terms energy: -55.286968
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -12.074
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: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -167.227362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.227362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.250033 (E_RNA)
where:
Base-Base interactions energy: -113.998
where: short stacking energy: -47.681
Base-Backbone interact. energy: -0.007
local terms energy: -53.245168
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -12.579
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: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -163.825324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.825324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.088326 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -45.570
Base-Backbone interact. energy: -0.027
local terms energy: -51.230548
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -7.999
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: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -169.348484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.348484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.379779 (E_RNA)
where:
Base-Base interactions energy: -118.316
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.457
local terms energy: -50.606041
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -13.517
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: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -194.411872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.451186 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.185
local terms energy: -66.073809
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -15.261
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: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -196.206504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.206504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.425727 (E_RNA)
where:
Base-Base interactions energy: -129.610
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.019
local terms energy: -66.796819
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -17.643
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: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -190.355387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.367121 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.613
local terms energy: -59.387928
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -15.581
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -186.980267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.980267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.205053 (E_RNA)
where:
Base-Base interactions energy: -126.740
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.042
local terms energy: -60.422274
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -16.912
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: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -181.119935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.119935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.125031 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -53.342
Base-Backbone interact. energy: 0.784
local terms energy: -54.720431
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -15.338
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: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -180.047675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.047675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066249 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.001
local terms energy: -62.374245
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -12.566
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -175.486827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.486827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.486827 (E_RNA)
where:
Base-Base interactions energy: -119.101
where: short stacking energy: -45.562
Base-Backbone interact. energy: -1.161
local terms energy: -55.224692
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -177.276389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.288614 (E_RNA)
where:
Base-Base interactions energy: -121.748
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.041
local terms energy: -55.499279
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -11.860
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: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -168.957873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.957873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142958 (E_RNA)
where:
Base-Base interactions energy: -111.441
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.047
local terms energy: -57.654995
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -12.803
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: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -171.410940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.410940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.439052 (E_RNA)
where:
Base-Base interactions energy: -121.035
where: short stacking energy: -53.673
Base-Backbone interact. energy: -0.006
local terms energy: -50.398139
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -15.664
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: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -195.778023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.778023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781853 (E_RNA)
where:
Base-Base interactions energy: -132.345
where: short stacking energy: -59.949
Base-Backbone interact. energy: -0.003
local terms energy: -63.433716
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -15.939
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -190.328253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.328253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.353206 (E_RNA)
where:
Base-Base interactions energy: -131.002
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.002
local terms energy: -59.349213
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -17.647
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -187.118756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.118756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.275896 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.024
local terms energy: -54.973089
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -9.911
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: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -188.205059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.205059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.225408 (E_RNA)
where:
Base-Base interactions energy: -130.514
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.002
local terms energy: -57.708643
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.020 (S_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: -184.069205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.069205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.317271 (E_RNA)
where:
Base-Base interactions energy: -124.131
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.003
local terms energy: -60.183059
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -14.866
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: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -181.269037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.269037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.308976 (E_RNA)
where:
Base-Base interactions energy: -123.309
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.592
local terms energy: -57.408549
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -13.541
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -172.973160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.973160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.021730 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -59.044
Base-Backbone interact. energy: -0.002
local terms energy: -45.759484
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -6.097
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -14.447
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: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -167.450854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.450854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.486538 (E_RNA)
where:
Base-Base interactions energy: -117.158
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.009
local terms energy: -50.319754
where:
bonds (distance) C4'-P energy: -6.844
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -10.888
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: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -156.819470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.819470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.824558 (E_RNA)
where:
Base-Base interactions energy: -114.852
where: short stacking energy: -44.213
Base-Backbone interact. energy: -0.145
local terms energy: -41.827646
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -5.338
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: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -160.259146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.259146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.259146 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.020
local terms energy: -46.140541
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -192.410885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.410885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417463 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.005
local terms energy: -57.208604
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -13.404
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -194.691306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.691306 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -57.733
Base-Backbone interact. energy: 1.700
local terms energy: -57.781682
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -11.079
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: 337
Temperature: 1.000000
Total energy: -197.733753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.733753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.839194 (E_RNA)
where:
Base-Base interactions energy: -137.526
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.004
local terms energy: -60.308997
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -10.265
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -18.392
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: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -189.089425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.089425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.187840 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -58.023
Base-Backbone interact. energy: -0.005
local terms energy: -52.155034
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -11.924
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: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -181.135144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.135144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.298746 (E_RNA)
where:
Base-Base interactions energy: -121.561
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.004
local terms energy: -59.733346
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -12.810
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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -180.391990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.391990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.463522 (E_RNA)
where:
Base-Base interactions energy: -130.431
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.046
local terms energy: -49.986294
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -13.451
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: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -180.754592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.754592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.002174 (E_RNA)
where:
Base-Base interactions energy: -123.416
where: short stacking energy: -56.897
Base-Backbone interact. energy: -0.051
local terms energy: -57.534708
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -12.701
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: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -167.836764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.836764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.884540 (E_RNA)
where:
Base-Base interactions energy: -117.429
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.042
local terms energy: -50.414124
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -8.540
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: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -170.688503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.688503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.778222 (E_RNA)
where:
Base-Base interactions energy: -114.604
where: short stacking energy: -50.753
Base-Backbone interact. energy: 1.037
local terms energy: -57.210589
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -15.516
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: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -166.042116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.042116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201417 (E_RNA)
where:
Base-Base interactions energy: -113.127
where: short stacking energy: -43.624
Base-Backbone interact. energy: -0.628
local terms energy: -52.446510
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -11.292
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: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -203.064381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.064381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.112012 (E_RNA)
where:
Base-Base interactions energy: -152.938
where: short stacking energy: -58.181
Base-Backbone interact. energy: 0.272
local terms energy: -50.446329
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -7.371
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -11.636
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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -187.262050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.262050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.262050 (E_RNA)
where:
Base-Base interactions energy: -128.639
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.001
local terms energy: -58.622157
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -16.005
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: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -185.976915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.976915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.981471 (E_RNA)
where:
Base-Base interactions energy: -129.116
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.653
local terms energy: -56.212546
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -13.995
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: 338
Temperature: 1.050000
Total energy: -183.157091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.157091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.177222 (E_RNA)
where:
Base-Base interactions energy: -124.603
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.032
local terms energy: -58.542229
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.020 (S_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: -182.562378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.562378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.584616 (E_RNA)
where:
Base-Base interactions energy: -126.272
where: short stacking energy: -50.746
Base-Backbone interact. energy: -1.016
local terms energy: -55.297292
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.010
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -182.977584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.977584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.018038 (E_RNA)
where:
Base-Base interactions energy: -121.578
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.001
local terms energy: -61.439672
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -13.235
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: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -172.639502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.639502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.777757 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.011
local terms energy: -50.312320
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -7.790
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -15.166
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: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -177.981000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.981000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.998928 (E_RNA)
where:
Base-Base interactions energy: -128.058
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.110
local terms energy: -49.831610
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -13.600
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: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -172.504052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.504052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.536365 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -49.501
Base-Backbone interact. energy: -0.000
local terms energy: -55.913876
where:
bonds (distance) C4'-P energy: -5.586
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -15.819
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: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -163.776762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.776762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.852417 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -53.825
Base-Backbone interact. energy: -0.497
local terms energy: -46.315659
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -11.538
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: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -198.120526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120526 (E_RNA)
where:
Base-Base interactions energy: -142.068
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.055
local terms energy: -55.997711
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -11.381
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: 339
Temperature: 0.950000
Total energy: -192.163159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.163159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.221967 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -59.904
Base-Backbone interact. energy: -0.017
local terms energy: -61.100060
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -15.552
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: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -183.989708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.989708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.036711 (E_RNA)
where:
Base-Base interactions energy: -127.002
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.059
local terms energy: -56.976218
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -15.457
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: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -180.135018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.135018 (E_RNA)
where:
Base-Base interactions energy: -123.443
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.051
local terms energy: -56.641265
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -12.634
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: 339
Temperature: 1.100000
Total energy: -181.239107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.239107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.259278 (E_RNA)
where:
Base-Base interactions energy: -130.868
where: short stacking energy: -56.989
Base-Backbone interact. energy: -0.009
local terms energy: -50.382400
where:
bonds (distance) C4'-P energy: -6.064
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -179.655576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.655576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.675739 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.018
local terms energy: -58.844561
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.020 (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: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -173.155316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.225975 (E_RNA)
where:
Base-Base interactions energy: -120.722
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.025
local terms energy: -52.478863
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -15.034
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: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -169.688969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.688969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.818317 (E_RNA)
where:
Base-Base interactions energy: -118.009
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.003
local terms energy: -51.806286
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -13.685
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: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -163.740062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.740062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.824443 (E_RNA)
where:
Base-Base interactions energy: -116.137
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.008
local terms energy: -47.680060
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -13.772
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: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -155.311243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.311243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.631995 (E_RNA)
where:
Base-Base interactions energy: -113.669
where: short stacking energy: -43.725
Base-Backbone interact. energy: -0.069
local terms energy: -41.894086
where:
bonds (distance) C4'-P energy: -7.932
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -6.486
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: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -191.473524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.473524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.489439 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.274
local terms energy: -50.677076
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -11.025
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: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -183.842899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.842899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.959495 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.006
local terms energy: -58.987438
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -12.858
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: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -191.152556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.152556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.152556 (E_RNA)
where:
Base-Base interactions energy: -130.389
where: short stacking energy: -61.363
Base-Backbone interact. energy: -0.001
local terms energy: -60.763254
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -13.543
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: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -186.590872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.590872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.590872 (E_RNA)
where:
Base-Base interactions energy: -129.367
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.451
local terms energy: -56.772914
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -12.639
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: 340
Temperature: 1.100000
Total energy: -184.475208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.535685 (E_RNA)
where:
Base-Base interactions energy: -125.601
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.447
local terms energy: -58.488132
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -14.565
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: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -181.772065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.772065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875633 (E_RNA)
where:
Base-Base interactions energy: -129.571
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.002
local terms energy: -52.302393
where:
bonds (distance) C4'-P energy: -3.818
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.471
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: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -174.225879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.225879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.273195 (E_RNA)
where:
Base-Base interactions energy: -120.131
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.000
local terms energy: -54.142214
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -13.279
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: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -169.840614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.840614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212115 (E_RNA)
where:
Base-Base interactions energy: -124.333
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.005
local terms energy: -45.873767
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -2.911
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -15.485
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: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -169.715897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.752746 (E_RNA)
where:
Base-Base interactions energy: -117.854
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.129
local terms energy: -51.769811
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -12.836
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: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -156.654417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.654417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.860515 (E_RNA)
where:
Base-Base interactions energy: -119.723
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.003
local terms energy: -37.134480
where:
bonds (distance) C4'-P energy: -2.509
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -13.149
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: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -190.356263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.356263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.407024 (E_RNA)
where:
Base-Base interactions energy: -127.114
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.002
local terms energy: -63.291347
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -17.825
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: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -189.637161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.637161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.637161 (E_RNA)
where:
Base-Base interactions energy: -128.177
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.008
local terms energy: -61.452077
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -14.724
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -186.890627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.890627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.073513 (E_RNA)
where:
Base-Base interactions energy: -123.891
where: short stacking energy: -58.671
Base-Backbone interact. energy: -0.000
local terms energy: -63.182174
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -15.711
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: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -185.292189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.292189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.370598 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -60.483
Base-Backbone interact. energy: -0.148
local terms energy: -58.502505
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -9.156
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -15.366
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: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -179.706790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.706790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.736984 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -55.603
Base-Backbone interact. energy: -0.006
local terms energy: -62.041546
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -15.394
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -175.961251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.961251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.969700 (E_RNA)
where:
Base-Base interactions energy: -116.528
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.007
local terms energy: -59.434683
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -14.590
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -182.973344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.973344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.973344 (E_RNA)
where:
Base-Base interactions energy: -124.567
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.167
local terms energy: -58.239580
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -165.071604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.071604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198579 (E_RNA)
where:
Base-Base interactions energy: -108.046
where: short stacking energy: -45.496
Base-Backbone interact. energy: -0.117
local terms energy: -57.034879
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -9.706
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: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -154.788779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.788779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.826001 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.105
local terms energy: -40.694021
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -3.775
tors. eta vs tors. theta energy: -8.756
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: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -162.384636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.384636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.457870 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -43.377
Base-Backbone interact. energy: -0.091
local terms energy: -47.712927
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -10.032
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: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -190.419187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.419187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473600 (E_RNA)
where:
Base-Base interactions energy: -128.731
where: short stacking energy: -59.084
Base-Backbone interact. energy: -0.004
local terms energy: -61.738036
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -17.387
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: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -195.531925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.531925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.553539 (E_RNA)
where:
Base-Base interactions energy: -132.715
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.024
local terms energy: -62.814056
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -16.328
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: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -194.753872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.753872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.753872 (E_RNA)
where:
Base-Base interactions energy: -133.311
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.003
local terms energy: -61.439475
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -17.020
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: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -183.578611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.578611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.666263 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.037
local terms energy: -60.245257
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -16.762
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -190.466751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.466751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.585835 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -61.154
Base-Backbone interact. energy: -0.021
local terms energy: -60.957303
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -16.708
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: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -178.248678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.258447 (E_RNA)
where:
Base-Base interactions energy: -124.076
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.002
local terms energy: -54.180105
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -13.572
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: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -166.664080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.664080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.664080 (E_RNA)
where:
Base-Base interactions energy: -116.172
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.383
local terms energy: -50.108423
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -173.380917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.380917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.459996 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.004
local terms energy: -54.094851
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -13.268
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: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -161.131903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.131903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.418419 (E_RNA)
where:
Base-Base interactions energy: -110.826
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.110
local terms energy: -50.482932
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -12.116
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: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -160.854408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.854408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.087122 (E_RNA)
where:
Base-Base interactions energy: -111.471
where: short stacking energy: -40.002
Base-Backbone interact. energy: -0.284
local terms energy: -49.331438
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -11.534
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -195.512518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.512518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631934 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.008
local terms energy: -60.897016
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -17.712
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -193.793065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.793065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.835239 (E_RNA)
where:
Base-Base interactions energy: -133.218
where: short stacking energy: -60.250
Base-Backbone interact. energy: -0.014
local terms energy: -60.602457
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -13.805
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: 343
Temperature: 1.000000
Total energy: -182.152990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.152990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.295890 (E_RNA)
where:
Base-Base interactions energy: -121.650
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.302
local terms energy: -60.344458
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -13.138
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: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -191.273199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.273199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.332089 (E_RNA)
where:
Base-Base interactions energy: -129.751
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.112
local terms energy: -61.469050
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -14.770
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: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -187.240576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.240576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247830 (E_RNA)
where:
Base-Base interactions energy: -127.893
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.014
local terms energy: -59.341003
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -13.332
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: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -167.676518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.676518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.840444 (E_RNA)
where:
Base-Base interactions energy: -114.007
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.003
local terms energy: -53.830675
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -12.061
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: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -172.393194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.473368 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -53.032
Base-Backbone interact. energy: -0.059
local terms energy: -53.049922
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -5.990
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -15.468
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -170.507641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.507641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.507641 (E_RNA)
where:
Base-Base interactions energy: -113.863
where: short stacking energy: -47.869
Base-Backbone interact. energy: -1.157
local terms energy: -55.488009
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -171.550592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.550592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.642469 (E_RNA)
where:
Base-Base interactions energy: -121.882
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.206
local terms energy: -49.554383
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -13.450
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: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -165.109178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.109178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.115125 (E_RNA)
where:
Base-Base interactions energy: -110.087
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.007
local terms energy: -55.021712
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -12.473
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: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -196.318108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.318108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.323583 (E_RNA)
where:
Base-Base interactions energy: -132.641
where: short stacking energy: -60.239
Base-Backbone interact. energy: -0.255
local terms energy: -63.427155
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -16.540
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: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -187.894253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.156699 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.008
local terms energy: -58.201070
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -11.960
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: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -192.729762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.729762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.729762 (E_RNA)
where:
Base-Base interactions energy: -130.082
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.002
local terms energy: -62.646346
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -17.075
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: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -183.353806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.353806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.564374 (E_RNA)
where:
Base-Base interactions energy: -127.351
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.077
local terms energy: -56.135586
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -13.166
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: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -184.401158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.401158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.427177 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.004
local terms energy: -55.336793
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -14.504
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: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -178.918795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.057227 (E_RNA)
where:
Base-Base interactions energy: -120.995
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.013
local terms energy: -58.049471
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -13.501
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: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -174.895969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.895969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.895969 (E_RNA)
where:
Base-Base interactions energy: -123.945
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.449
local terms energy: -50.501254
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -171.391167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.391167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.513273 (E_RNA)
where:
Base-Base interactions energy: -115.032
where: short stacking energy: -54.934
Base-Backbone interact. energy: -0.012
local terms energy: -56.469150
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -11.793
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: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -174.648401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.648401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.685412 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.035
local terms energy: -56.522314
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -14.178
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: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -167.441809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.441809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.611608 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -46.866
Base-Backbone interact. energy: -0.006
local terms energy: -53.205325
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -7.486
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: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -195.794449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.794449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.794449 (E_RNA)
where:
Base-Base interactions energy: -135.333
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.005
local terms energy: -60.456761
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -15.345
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: 345
Temperature: 0.950000
Total energy: -188.717946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.717946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755762 (E_RNA)
where:
Base-Base interactions energy: -130.913
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.043
local terms energy: -57.800219
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -12.772
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: 345
Temperature: 1.000000
Total energy: -184.470838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.470838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.471878 (E_RNA)
where:
Base-Base interactions energy: -124.051
where: short stacking energy: -53.975
Base-Backbone interact. energy: -0.018
local terms energy: -60.402988
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -15.402
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -183.662656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.662656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665862 (E_RNA)
where:
Base-Base interactions energy: -123.932
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.082
local terms energy: -59.651867
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -15.524
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: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -180.243614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.243614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.488519 (E_RNA)
where:
Base-Base interactions energy: -128.347
where: short stacking energy: -55.604
Base-Backbone interact. energy: -0.213
local terms energy: -51.928636
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -11.976
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -170.891720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.891720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.005276 (E_RNA)
where:
Base-Base interactions energy: -128.167
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.354
local terms energy: -42.484849
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -10.174
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: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -173.234412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.234412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.234412 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.158
local terms energy: -50.571895
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -7.001
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -166.763066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.763066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.774056 (E_RNA)
where:
Base-Base interactions energy: -117.859
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.000
local terms energy: -48.914926
where:
bonds (distance) C4'-P energy: -6.967
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -14.757
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: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -167.704584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.704584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.714912 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.390
local terms energy: -46.249732
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -11.348
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: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -166.051577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.051577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.130552 (E_RNA)
where:
Base-Base interactions energy: -117.548
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.287
local terms energy: -48.296252
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -13.272
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: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -189.536598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.536598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.544413 (E_RNA)
where:
Base-Base interactions energy: -129.914
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.003
local terms energy: -59.626985
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.443
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: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -188.609419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.609419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.611313 (E_RNA)
where:
Base-Base interactions energy: -127.889
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.000
local terms energy: -60.721420
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -185.466158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.466158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.466158 (E_RNA)
where:
Base-Base interactions energy: -125.948
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.001
local terms energy: -59.517179
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -17.047
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -182.599316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.599316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.599316 (E_RNA)
where:
Base-Base interactions energy: -123.352
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.007
local terms energy: -59.239697
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -14.673
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: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -179.450631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450631 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.240
local terms energy: -55.078353
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -167.236778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.236778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.271786 (E_RNA)
where:
Base-Base interactions energy: -115.247
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.014
local terms energy: -52.011253
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -10.805
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: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -168.456975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.456975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.456975 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.120
local terms energy: -50.043509
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -174.642360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.642360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.754470 (E_RNA)
where:
Base-Base interactions energy: -116.020
where: short stacking energy: -51.562
Base-Backbone interact. energy: -0.002
local terms energy: -58.732563
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -14.506
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: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -168.100909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.100909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.133627 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -54.263
Base-Backbone interact. energy: 0.336
local terms energy: -50.932204
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -7.452
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -12.744
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: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -164.622834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.622834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.773704 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -43.573
Base-Backbone interact. energy: -1.238
local terms energy: -46.544369
where:
bonds (distance) C4'-P energy: -2.546
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -13.538
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -189.618942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.618942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.641248 (E_RNA)
where:
Base-Base interactions energy: -131.874
where: short stacking energy: -60.986
Base-Backbone interact. energy: 0.071
local terms energy: -57.838188
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -12.552
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: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -190.234948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.234948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.266480 (E_RNA)
where:
Base-Base interactions energy: -125.761
where: short stacking energy: -60.753
Base-Backbone interact. energy: 0.075
local terms energy: -64.580099
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -16.159
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: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -184.687692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.723721 (E_RNA)
where:
Base-Base interactions energy: -128.856
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.022
local terms energy: -55.846186
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -14.783
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: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -184.628254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.699236 (E_RNA)
where:
Base-Base interactions energy: -126.547
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.047
local terms energy: -58.105374
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -13.769
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -183.726024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.726024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.762963 (E_RNA)
where:
Base-Base interactions energy: -128.612
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.053
local terms energy: -55.098250
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -14.516
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: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -173.267010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.267010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.345117 (E_RNA)
where:
Base-Base interactions energy: -120.298
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.001
local terms energy: -53.045918
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -10.184
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: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -182.024797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.024797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.247648 (E_RNA)
where:
Base-Base interactions energy: -119.599
where: short stacking energy: -55.263
Base-Backbone interact. energy: -0.002
local terms energy: -62.646261
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -17.512
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: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -165.533246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.533246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.582043 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.011
local terms energy: -51.939021
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -12.934
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: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -169.454476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.454476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.528031 (E_RNA)
where:
Base-Base interactions energy: -113.925
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.177
local terms energy: -55.425850
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -13.018
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: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -163.102380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.102380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.459300 (E_RNA)
where:
Base-Base interactions energy: -115.864
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.008
local terms energy: -47.587505
where:
bonds (distance) C4'-P energy: -5.506
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -13.150
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -194.557450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.557450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.590184 (E_RNA)
where:
Base-Base interactions energy: -132.913
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.002
local terms energy: -61.674519
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -16.983
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: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -189.734695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.734695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.734695 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.001
local terms energy: -58.956334
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -15.612
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -189.154007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.154007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.222296 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.007
local terms energy: -58.768609
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -14.146
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: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -186.788038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.788038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.810154 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.263
local terms energy: -61.782338
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -17.642
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: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -172.058528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.058528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.058528 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -48.937
Base-Backbone interact. energy: -0.012
local terms energy: -53.212830
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -182.459190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.459190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.470759 (E_RNA)
where:
Base-Base interactions energy: -132.547
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.008
local terms energy: -49.916631
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -14.722
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: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -173.063084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.215583 (E_RNA)
where:
Base-Base interactions energy: -121.236
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.100
local terms energy: -51.879523
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -12.174
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: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -176.661481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.661481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.093946 (E_RNA)
where:
Base-Base interactions energy: -117.478
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.001
local terms energy: -59.614913
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -16.751
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -166.784493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.784493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843499 (E_RNA)
where:
Base-Base interactions energy: -122.791
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.264
local terms energy: -43.788583
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -5.171
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -10.621
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: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -165.799659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.799659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.804083 (E_RNA)
where:
Base-Base interactions energy: -118.571
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.077
local terms energy: -47.156748
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -9.055
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: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -191.932967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.932967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.984882 (E_RNA)
where:
Base-Base interactions energy: -129.433
where: short stacking energy: -60.911
Base-Backbone interact. energy: -0.001
local terms energy: -62.551672
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -16.545
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -190.764757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.764757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957181 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.007
local terms energy: -60.521669
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -16.256
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -191.644862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.984473 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.028
local terms energy: -63.732628
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -16.002
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: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -180.009559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.009559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.009559 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.064
local terms energy: -54.247293
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -14.977
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: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -178.684576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.684576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.711074 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.001
local terms energy: -55.125440
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.515
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -186.170731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170731 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.021
local terms energy: -59.056087
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.674
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: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -169.042206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.042206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.187003 (E_RNA)
where:
Base-Base interactions energy: -116.236
where: short stacking energy: -52.109
Base-Backbone interact. energy: -0.037
local terms energy: -52.914058
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -13.804
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: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -174.155713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.155713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.282547 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -55.967
Base-Backbone interact. energy: 0.123
local terms energy: -56.504589
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -12.777
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: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -160.329453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.329453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.464052 (E_RNA)
where:
Base-Base interactions energy: -111.606
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.325
local terms energy: -48.532437
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -4.175
tors. eta vs tors. theta energy: -12.301
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -174.776159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.776159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.812464 (E_RNA)
where:
Base-Base interactions energy: -122.181
where: short stacking energy: -55.264
Base-Backbone interact. energy: -0.011
local terms energy: -52.620342
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -11.821
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -197.564959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564959 (E_RNA)
where:
Base-Base interactions energy: -135.094
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.003
local terms energy: -62.467922
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -16.646
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -191.446319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516679 (E_RNA)
where:
Base-Base interactions energy: -132.445
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.008
local terms energy: -59.064129
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.863
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -190.003492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.079226 (E_RNA)
where:
Base-Base interactions energy: -129.592
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.016
local terms energy: -60.470636
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -14.422
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: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -185.692749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.692749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.692749 (E_RNA)
where:
Base-Base interactions energy: -128.010
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.153
local terms energy: -57.529118
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -13.457
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: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -176.809873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.814316 (E_RNA)
where:
Base-Base interactions energy: -123.153
where: short stacking energy: -54.277
Base-Backbone interact. energy: 0.085
local terms energy: -53.746380
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -15.218
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: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -169.877876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.877876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.922936 (E_RNA)
where:
Base-Base interactions energy: -120.714
where: short stacking energy: -50.886
Base-Backbone interact. energy: -0.172
local terms energy: -49.037291
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -11.267
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: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -182.477659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.477659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517703 (E_RNA)
where:
Base-Base interactions energy: -128.457
where: short stacking energy: -57.588
Base-Backbone interact. energy: -0.007
local terms energy: -54.054094
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -16.933
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: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -169.192394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.192394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.254212 (E_RNA)
where:
Base-Base interactions energy: -118.792
where: short stacking energy: -47.811
Base-Backbone interact. energy: -0.022
local terms energy: -50.439428
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -12.487
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: 350
Temperature: 1.300000
Total energy: -168.097994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.097994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.116752 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.001
local terms energy: -45.333341
where:
bonds (distance) C4'-P energy: -7.132
bonds (distance) P-C4' energy: -8.787
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -14.553
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: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -163.149097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.149097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.278492 (E_RNA)
where:
Base-Base interactions energy: -115.665
where: short stacking energy: -46.836
Base-Backbone interact. energy: -0.360
local terms energy: -47.254108
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -12.199
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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -194.053198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.053198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.053198 (E_RNA)
where:
Base-Base interactions energy: -134.521
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.159
local terms energy: -59.373987
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -16.496
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: 351
Temperature: 0.950000
Total energy: -195.902710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.902710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.027461 (E_RNA)
where:
Base-Base interactions energy: -132.958
where: short stacking energy: -61.906
Base-Backbone interact. energy: -0.018
local terms energy: -63.051308
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -17.244
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: 351
Temperature: 1.000000
Total energy: -187.627826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.627826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.751525 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.012
local terms energy: -61.203610
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -17.346
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: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -183.549083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.549083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.723963 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.001
local terms energy: -57.976921
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -13.916
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -188.442024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.442024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.485287 (E_RNA)
where:
Base-Base interactions energy: -128.446
where: short stacking energy: -54.239
Base-Backbone interact. energy: -0.427
local terms energy: -59.612703
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.835
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -176.504974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.504974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.538695 (E_RNA)
where:
Base-Base interactions energy: -119.536
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.003
local terms energy: -57.000248
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -12.576
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: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -178.101665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.101665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.159291 (E_RNA)
where:
Base-Base interactions energy: -123.676
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.001
local terms energy: -54.482364
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -7.943
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -14.420
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: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -165.878490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.878490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.311688 (E_RNA)
where:
Base-Base interactions energy: -116.184
where: short stacking energy: -48.161
Base-Backbone interact. energy: -0.172
local terms energy: -49.955464
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -11.760
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: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -174.544319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.544319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.685818 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.007
local terms energy: -52.111516
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -5.469
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.264
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: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -166.976196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.976196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.107540 (E_RNA)
where:
Base-Base interactions energy: -122.632
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.273
local terms energy: -44.203390
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -7.627
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -11.781
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: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -198.117180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.117180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.117180 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -63.013
Base-Backbone interact. energy: -0.036
local terms energy: -62.062308
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.395
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: 352
Temperature: 0.950000
Total energy: -188.500356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.768048 (E_RNA)
where:
Base-Base interactions energy: -127.340
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.001
local terms energy: -61.427773
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -12.450
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: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -185.109674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.109674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.145887 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.048
local terms energy: -58.746428
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -15.471
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -185.747070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.747070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.978417 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.002
local terms energy: -56.385542
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -14.817
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: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -186.355499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.355499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355499 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.003
local terms energy: -49.014344
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -177.265275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265275 (E_RNA)
where:
Base-Base interactions energy: -131.095
where: short stacking energy: -52.431
Base-Backbone interact. energy: 0.546
local terms energy: -46.716132
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -11.716
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: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -183.706213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.706213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800492 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.002
local terms energy: -56.866713
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -13.143
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: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -175.255109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.255109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.255109 (E_RNA)
where:
Base-Base interactions energy: -124.258
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.001
local terms energy: -50.996086
where:
bonds (distance) C4'-P energy: -7.538
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -8.585
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -167.866214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.866214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.931493 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -47.971
Base-Backbone interact. energy: -0.125
local terms energy: -45.834504
where:
bonds (distance) C4'-P energy: -7.894
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -10.845
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: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -161.250051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.250051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.323162 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -38.563
Base-Backbone interact. energy: 0.811
local terms energy: -51.341758
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -7.758
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: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -188.572910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.572910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.591322 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.003
local terms energy: -59.076665
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -15.267
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: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -188.925284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.929109 (E_RNA)
where:
Base-Base interactions energy: -126.384
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.001
local terms energy: -62.544973
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -12.211
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: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -189.161052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.161052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.198831 (E_RNA)
where:
Base-Base interactions energy: -126.237
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.003
local terms energy: -62.958984
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.545
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: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -186.877971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.877971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.877971 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -58.842
Base-Backbone interact. energy: 0.585
local terms energy: -58.321255
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -15.533
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: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -181.557660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.557660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.640736 (E_RNA)
where:
Base-Base interactions energy: -120.733
where: short stacking energy: -58.014
Base-Backbone interact. energy: -0.216
local terms energy: -60.691275
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -14.250
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: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -181.608424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.677122 (E_RNA)
where:
Base-Base interactions energy: -126.528
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.140
local terms energy: -55.009359
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -12.202
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -172.803206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.803206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.805343 (E_RNA)
where:
Base-Base interactions energy: -119.114
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.002
local terms energy: -53.688964
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -173.996179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.996179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.996179 (E_RNA)
where:
Base-Base interactions energy: -127.766
where: short stacking energy: -49.889
Base-Backbone interact. energy: -0.499
local terms energy: -45.732001
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -170.833597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.833597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.863635 (E_RNA)
where:
Base-Base interactions energy: -119.450
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.021
local terms energy: -51.392477
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -7.755
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -14.979
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: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -166.488927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.488927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.852968 (E_RNA)
where:
Base-Base interactions energy: -114.596
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.485
local terms energy: -51.771061
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -8.219
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -14.018
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: 354
Temperature: 0.900000
Total energy: -192.908441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.908441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.966386 (E_RNA)
where:
Base-Base interactions energy: -131.636
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.001
local terms energy: -61.329522
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -15.589
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: 354
Temperature: 0.950000
Total energy: -187.824501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.824501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907712 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.000
local terms energy: -57.285884
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -14.482
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: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -184.413465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.413465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.448661 (E_RNA)
where:
Base-Base interactions energy: -124.749
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.164
local terms energy: -59.535289
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -14.558
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -175.856255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885654 (E_RNA)
where:
Base-Base interactions energy: -122.403
where: short stacking energy: -52.620
Base-Backbone interact. energy: -0.003
local terms energy: -53.478743
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.551
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: 354
Temperature: 1.100000
Total energy: -172.737105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.737105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.796944 (E_RNA)
where:
Base-Base interactions energy: -119.126
where: short stacking energy: -50.553
Base-Backbone interact. energy: 0.023
local terms energy: -53.694255
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -15.033
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: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -180.208389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.208389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.230702 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -55.849
Base-Backbone interact. energy: -0.643
local terms energy: -56.274026
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -8.781
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -16.651
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: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -181.392483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.392483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.490803 (E_RNA)
where:
Base-Base interactions energy: -130.309
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.171
local terms energy: -51.010806
where:
bonds (distance) C4'-P energy: -6.470
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -9.919
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -163.746615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.746615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.043632 (E_RNA)
where:
Base-Base interactions energy: -116.418
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.729
local terms energy: -46.896837
where:
bonds (distance) C4'-P energy: -6.074
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -5.908
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -14.097
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: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -163.837339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.837339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.890084 (E_RNA)
where:
Base-Base interactions energy: -110.801
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.792
local terms energy: -52.297005
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -2.967
tors. eta vs tors. theta energy: -14.226
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: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -159.827074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.827074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.917192 (E_RNA)
where:
Base-Base interactions energy: -108.508
where: short stacking energy: -43.591
Base-Backbone interact. energy: -0.112
local terms energy: -51.297351
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -13.500
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: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -193.961868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.961868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.961868 (E_RNA)
where:
Base-Base interactions energy: -130.963
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.011
local terms energy: -62.988412
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -15.791
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -189.614817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.614817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615066 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -62.803
Base-Backbone interact. energy: -0.029
local terms energy: -54.510608
where:
bonds (distance) C4'-P energy: -5.969
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -15.083
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: 355
Temperature: 1.000000
Total energy: -189.721162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.721162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.732500 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.078
local terms energy: -60.877397
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -13.457
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: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -180.220834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.220834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.263767 (E_RNA)
where:
Base-Base interactions energy: -127.642
where: short stacking energy: -52.921
Base-Backbone interact. energy: -0.027
local terms energy: -52.594867
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -9.523
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -182.595923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.603113 (E_RNA)
where:
Base-Base interactions energy: -125.572
where: short stacking energy: -50.381
Base-Backbone interact. energy: -0.034
local terms energy: -56.997353
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -11.661
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: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -178.370342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.370342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.383020 (E_RNA)
where:
Base-Base interactions energy: -125.583
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.157
local terms energy: -52.642335
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -15.373
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: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -178.185739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.185739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185739 (E_RNA)
where:
Base-Base interactions energy: -125.758
where: short stacking energy: -53.099
Base-Backbone interact. energy: 1.399
local terms energy: -53.826665
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -172.834142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.834142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.882135 (E_RNA)
where:
Base-Base interactions energy: -122.645
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.068
local terms energy: -50.169114
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -11.322
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -174.241859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.241859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318662 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.153
local terms energy: -52.912552
where:
bonds (distance) C4'-P energy: -6.256
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -13.327
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: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -165.056718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.056718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.067410 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -49.461
Base-Backbone interact. energy: 0.101
local terms energy: -47.303025
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -7.176
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -13.022
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: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -196.809475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.809475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.809475 (E_RNA)
where:
Base-Base interactions energy: -134.694
where: short stacking energy: -57.738
Base-Backbone interact. energy: 1.721
local terms energy: -63.836782
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -15.252
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: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -192.329773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.338709 (E_RNA)
where:
Base-Base interactions energy: -131.966
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.760
local terms energy: -59.612693
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.420
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: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -191.641977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.641977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.959773 (E_RNA)
where:
Base-Base interactions energy: -129.744
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.016
local terms energy: -62.199550
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -17.349
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: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -185.129037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.129037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.188665 (E_RNA)
where:
Base-Base interactions energy: -125.349
where: short stacking energy: -57.718
Base-Backbone interact. energy: -0.008
local terms energy: -59.831675
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -12.862
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: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -187.587168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.587168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628484 (E_RNA)
where:
Base-Base interactions energy: -130.465
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.007
local terms energy: -57.156871
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -15.142
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -181.127563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.127563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.184972 (E_RNA)
where:
Base-Base interactions energy: -126.378
where: short stacking energy: -54.519
Base-Backbone interact. energy: -0.001
local terms energy: -54.805543
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -17.404
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: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -179.265240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.265240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.378245 (E_RNA)
where:
Base-Base interactions energy: -124.154
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.021
local terms energy: -55.203362
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -15.502
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: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -175.895715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.895715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.070789 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.001
local terms energy: -55.885331
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -12.823
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -160.582750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.582750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.582750 (E_RNA)
where:
Base-Base interactions energy: -116.383
where: short stacking energy: -42.760
Base-Backbone interact. energy: -0.242
local terms energy: -43.958678
where:
bonds (distance) C4'-P energy: -4.621
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -155.898277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.898277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152713 (E_RNA)
where:
Base-Base interactions energy: -111.148
where: short stacking energy: -41.196
Base-Backbone interact. energy: -0.173
local terms energy: -44.831723
where:
bonds (distance) C4'-P energy: -5.150
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -6.753
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: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -196.492005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.492005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.550576 (E_RNA)
where:
Base-Base interactions energy: -130.930
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.337
local terms energy: -65.283261
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -18.100
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -193.224463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.224463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.254401 (E_RNA)
where:
Base-Base interactions energy: -131.525
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.006
local terms energy: -61.723253
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -16.545
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -188.753987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.753987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.974783 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -60.333
Base-Backbone interact. energy: -0.032
local terms energy: -60.346823
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -15.304
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: 357
Temperature: 1.050000
Total energy: -183.064899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.112926 (E_RNA)
where:
Base-Base interactions energy: -126.381
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.001
local terms energy: -56.731040
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -13.091
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -180.671655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.671655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.757466 (E_RNA)
where:
Base-Base interactions energy: -123.675
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.005
local terms energy: -57.077662
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -14.722
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: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -185.080642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.080642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.103701 (E_RNA)
where:
Base-Base interactions energy: -128.008
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.002
local terms energy: -57.094250
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -14.923
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: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -183.137409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.137409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.137409 (E_RNA)
where:
Base-Base interactions energy: -124.124
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.000
local terms energy: -59.013034
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -176.870296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.870296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890730 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -54.110
Base-Backbone interact. energy: -0.002
local terms energy: -53.013126
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.020 (S_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: 357
Temperature: 1.300000
Total energy: -167.313785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.313785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.361769 (E_RNA)
where:
Base-Base interactions energy: -118.882
where: short stacking energy: -47.929
Base-Backbone interact. energy: -0.009
local terms energy: -48.471309
where:
bonds (distance) C4'-P energy: -4.285
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -11.940
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: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -161.962175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.962175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.094612 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -48.955
Base-Backbone interact. energy: -0.001
local terms energy: -54.664361
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -12.744
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: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -193.290489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.290489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.290489 (E_RNA)
where:
Base-Base interactions energy: -132.197
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.043
local terms energy: -61.050993
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.766
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: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -195.442660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.442660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.576531 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.005
local terms energy: -64.575276
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -16.983
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: 358
Temperature: 1.000000
Total energy: -185.448702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.448702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.516844 (E_RNA)
where:
Base-Base interactions energy: -127.826
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.469
local terms energy: -57.221694
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -13.679
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -185.356529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.356529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.405413 (E_RNA)
where:
Base-Base interactions energy: -135.111
where: short stacking energy: -59.751
Base-Backbone interact. energy: 1.058
local terms energy: -51.352962
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -14.240
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: 358
Temperature: 1.100000
Total energy: -185.859663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.859663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.859663 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.002
local terms energy: -59.743948
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -179.720957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.720957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.735858 (E_RNA)
where:
Base-Base interactions energy: -123.182
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.010
local terms energy: -56.543611
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -11.522
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: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -173.352433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.352433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.406674 (E_RNA)
where:
Base-Base interactions energy: -124.145
where: short stacking energy: -55.240
Base-Backbone interact. energy: 0.851
local terms energy: -50.112747
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -4.687
tors. eta vs tors. theta energy: -12.413
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: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -169.686136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.694852 (E_RNA)
where:
Base-Base interactions energy: -117.370
where: short stacking energy: -46.305
Base-Backbone interact. energy: -0.023
local terms energy: -52.302271
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -13.109
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -162.262410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.262410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.358981 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -48.840
Base-Backbone interact. energy: -0.514
local terms energy: -44.816998
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -9.740
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: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -160.738771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.738771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.742830 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.360
local terms energy: -47.115863
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -5.695
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -11.344
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: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -189.209940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.209940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.217203 (E_RNA)
where:
Base-Base interactions energy: -136.971
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.004
local terms energy: -52.241909
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.171
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: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -190.054472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.054472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.080609 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.903
local terms energy: -53.873260
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -11.843
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: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -185.960815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.960815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.991677 (E_RNA)
where:
Base-Base interactions energy: -121.167
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.021
local terms energy: -64.804186
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -14.459
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -187.573162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.573162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.688306 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -53.117
Base-Backbone interact. energy: -0.201
local terms energy: -48.871779
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -11.074
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -184.050451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.050451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.124270 (E_RNA)
where:
Base-Base interactions energy: -125.849
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.009
local terms energy: -58.265769
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -13.975
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -175.891691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.937628 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.004
local terms energy: -54.813029
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -13.496
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: 359
Temperature: 1.200000
Total energy: -169.246239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.246239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.341040 (E_RNA)
where:
Base-Base interactions energy: -119.774
where: short stacking energy: -56.556
Base-Backbone interact. energy: -0.002
local terms energy: -49.565700
where:
bonds (distance) C4'-P energy: -7.915
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -12.728
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: 359
Temperature: 1.250000
Total energy: -169.537435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.537435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.540315 (E_RNA)
where:
Base-Base interactions energy: -112.727
where: short stacking energy: -44.669
Base-Backbone interact. energy: -0.415
local terms energy: -56.398120
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -12.324
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: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -164.139241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.139241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.317201 (E_RNA)
where:
Base-Base interactions energy: -112.102
where: short stacking energy: -41.218
Base-Backbone interact. energy: -0.017
local terms energy: -52.198187
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -9.383
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: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -175.253096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.253096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.347391 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.000
local terms energy: -57.419771
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -12.289
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: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -187.688853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.688853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.709268 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -51.499
Base-Backbone interact. energy: -0.432
local terms energy: -57.368678
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -195.264402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.264402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399803 (E_RNA)
where:
Base-Base interactions energy: -128.971
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.015
local terms energy: -66.413817
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -17.335
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: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -189.079482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.079482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.079482 (E_RNA)
where:
Base-Base interactions energy: -124.283
where: short stacking energy: -56.963
Base-Backbone interact. energy: -0.003
local terms energy: -64.793420
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -15.755
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: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -175.025678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025678 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -50.846
Base-Backbone interact. energy: -0.075
local terms energy: -52.712629
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.615
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: 7
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -175.872343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.872343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901104 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -52.011
Base-Backbone interact. energy: -0.085
local terms energy: -52.480378
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -6.793
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -13.898
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: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -177.798546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.798546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.853664 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.479
local terms energy: -60.148095
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -15.213
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -179.495794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.495794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.631261 (E_RNA)
where:
Base-Base interactions energy: -127.695
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.001
local terms energy: -51.936014
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -14.304
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: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -170.045754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.045754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.090337 (E_RNA)
where:
Base-Base interactions energy: -117.065
where: short stacking energy: -45.970
Base-Backbone interact. energy: -0.005
local terms energy: -53.019518
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -7.916
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -15.729
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: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -171.369257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.369257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.420343 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -50.322
Base-Backbone interact. energy: -0.012
local terms energy: -54.155134
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -14.588
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: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -168.007056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.007056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.165378 (E_RNA)
where:
Base-Base interactions energy: -121.155
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.019
local terms energy: -46.991082
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -4.682
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -16.162
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: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -193.262319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.262319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.303236 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.199
local terms energy: -55.839055
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -11.462
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: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -189.363696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.363696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.517935 (E_RNA)
where:
Base-Base interactions energy: -125.608
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.003
local terms energy: -63.907258
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.632
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -188.374747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.374747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.486306 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.003
local terms energy: -58.258531
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -16.225
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: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -175.467637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.467637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.467637 (E_RNA)
where:
Base-Base interactions energy: -126.535
where: short stacking energy: -49.085
Base-Backbone interact. energy: -0.031
local terms energy: -48.901709
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -11.322
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: 361
Temperature: 1.100000
Total energy: -178.951901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.951901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.978848 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.004
local terms energy: -56.558542
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -15.022
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: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -174.461883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.461883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.479886 (E_RNA)
where:
Base-Base interactions energy: -123.200
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.018
local terms energy: -51.262703
where:
bonds (distance) C4'-P energy: -3.418
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.667
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: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -184.931487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.931487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.962190 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.012
local terms energy: -60.023927
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -15.279
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: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -182.602676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.602676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.602676 (E_RNA)
where:
Base-Base interactions energy: -123.393
where: short stacking energy: -53.345
Base-Backbone interact. energy: 0.244
local terms energy: -59.454249
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -172.659687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.659687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.743742 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.179
local terms energy: -49.911429
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -11.706
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: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -154.353161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.353161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.468858 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.000
local terms energy: -43.788017
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -7.461
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -9.967
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: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -188.965319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.060001 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -57.759
Base-Backbone interact. energy: -0.001
local terms energy: -56.799379
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -13.216
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: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -199.660313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.660313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.678449 (E_RNA)
where:
Base-Base interactions energy: -137.960
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.391
local terms energy: -61.327691
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -15.613
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -188.691537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.691537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.691537 (E_RNA)
where:
Base-Base interactions energy: -132.424
where: short stacking energy: -52.232
Base-Backbone interact. energy: 0.553
local terms energy: -56.820745
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -12.669
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -178.506002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.506002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.562765 (E_RNA)
where:
Base-Base interactions energy: -121.785
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.417
local terms energy: -56.361124
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -11.162
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: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -177.574178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.574178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.637393 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.000
local terms energy: -50.381854
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -8.342
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -14.985
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: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -177.773043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.773043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.781046 (E_RNA)
where:
Base-Base interactions energy: -120.879
where: short stacking energy: -52.586
Base-Backbone interact. energy: 1.157
local terms energy: -58.058968
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -12.968
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: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -172.180654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.468847 (E_RNA)
where:
Base-Base interactions energy: -115.847
where: short stacking energy: -53.089
Base-Backbone interact. energy: -0.116
local terms energy: -56.506525
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -13.672
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -176.044993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.174415 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -52.489
Base-Backbone interact. energy: -0.017
local terms energy: -55.731234
where:
bonds (distance) C4'-P energy: -7.875
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -15.937
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: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -167.951961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.951961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.179294 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -47.433
Base-Backbone interact. energy: -0.513
local terms energy: -54.291923
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -12.648
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: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -167.589775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.589775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.740025 (E_RNA)
where:
Base-Base interactions energy: -117.802
where: short stacking energy: -51.892
Base-Backbone interact. energy: 1.274
local terms energy: -51.211590
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -14.895
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: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -187.958272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.986606 (E_RNA)
where:
Base-Base interactions energy: -126.636
where: short stacking energy: -52.659
Base-Backbone interact. energy: -0.001
local terms energy: -61.350500
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.098
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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -192.207005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.207005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.207005 (E_RNA)
where:
Base-Base interactions energy: -136.261
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.058
local terms energy: -55.888737
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -14.134
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -182.609379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.609379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.898507 (E_RNA)
where:
Base-Base interactions energy: -127.786
where: short stacking energy: -52.079
Base-Backbone interact. energy: 0.335
local terms energy: -55.447270
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -12.496
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: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -181.431728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.431728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.438887 (E_RNA)
where:
Base-Base interactions energy: -124.010
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.063
local terms energy: -57.366542
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -15.049
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: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -180.895897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.895897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.973573 (E_RNA)
where:
Base-Base interactions energy: -128.962
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.000
local terms energy: -52.011661
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -16.578
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: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -172.825984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.825984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879684 (E_RNA)
where:
Base-Base interactions energy: -123.212
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.567
local terms energy: -49.100395
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -11.921
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: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -175.319687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.324640 (E_RNA)
where:
Base-Base interactions energy: -126.052
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.001
local terms energy: -49.271878
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -15.901
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -171.806484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.806484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.928159 (E_RNA)
where:
Base-Base interactions energy: -122.774
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.045
local terms energy: -49.109677
where:
bonds (distance) C4'-P energy: -4.608
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -16.829
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: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -169.686493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.713049 (E_RNA)
where:
Base-Base interactions energy: -115.815
where: short stacking energy: -48.772
Base-Backbone interact. energy: -0.001
local terms energy: -53.897507
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -15.218
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -163.407101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.407101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.505346 (E_RNA)
where:
Base-Base interactions energy: -110.739
where: short stacking energy: -44.103
Base-Backbone interact. energy: -0.005
local terms energy: -52.761205
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -7.787
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -12.483
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -194.982470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.982470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.010010 (E_RNA)
where:
Base-Base interactions energy: -136.587
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.036
local terms energy: -58.386735
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -12.378
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: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -190.354411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.354411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.411689 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.043
local terms energy: -63.874980
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -15.002
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: 364
Temperature: 1.000000
Total energy: -189.087109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.087109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.183710 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.014
local terms energy: -60.801746
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -15.732
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -186.492558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.492558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.603637 (E_RNA)
where:
Base-Base interactions energy: -127.547
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.011
local terms energy: -59.045489
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.397
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: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -173.584194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.740235 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -44.155
Base-Backbone interact. energy: -0.390
local terms energy: -56.215096
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -10.240
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: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -169.696085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.696085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.696085 (E_RNA)
where:
Base-Base interactions energy: -112.943
where: short stacking energy: -47.036
Base-Backbone interact. energy: -0.137
local terms energy: -56.616048
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.702
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: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -173.937183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.937183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.998115 (E_RNA)
where:
Base-Base interactions energy: -119.458
where: short stacking energy: -53.449
Base-Backbone interact. energy: -0.011
local terms energy: -54.529295
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -14.971
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: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -167.461256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.461256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.568748 (E_RNA)
where:
Base-Base interactions energy: -116.727
where: short stacking energy: -53.250
Base-Backbone interact. energy: -0.000
local terms energy: -50.841558
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -14.523
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: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -169.633353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.633353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.714327 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.001
local terms energy: -51.702094
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -13.701
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: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -170.666937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.666937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.731555 (E_RNA)
where:
Base-Base interactions energy: -125.000
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.000
local terms energy: -45.731744
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -7.518
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -10.696
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -191.153688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.153688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.217352 (E_RNA)
where:
Base-Base interactions energy: -135.540
where: short stacking energy: -56.720
Base-Backbone interact. energy: -1.582
local terms energy: -54.094863
where:
bonds (distance) C4'-P energy: -7.419
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -14.380
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -189.940910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.940910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.124785 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.058
local terms energy: -61.023362
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -15.384
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: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -191.941499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.980026 (E_RNA)
where:
Base-Base interactions energy: -133.107
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.000
local terms energy: -58.872408
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.484
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: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -181.618170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.618170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.618170 (E_RNA)
where:
Base-Base interactions energy: -131.267
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.236
local terms energy: -50.114743
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -11.692
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: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -175.091557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.091557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.288418 (E_RNA)
where:
Base-Base interactions energy: -118.519
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.005
local terms energy: -56.764855
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.769
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -179.406185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.406185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.410901 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -52.990
Base-Backbone interact. energy: -0.160
local terms energy: -54.149970
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -11.830
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: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -182.740791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.740791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.740791 (E_RNA)
where:
Base-Base interactions energy: -123.183
where: short stacking energy: -55.879
Base-Backbone interact. energy: -0.002
local terms energy: -59.556441
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -167.469191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.469191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.524504 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.011
local terms energy: -45.456639
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -4.083
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -9.637
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: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -169.503945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.503945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.607638 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.010
local terms energy: -53.074029
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -12.109
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: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -164.324049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.450988 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -48.939
Base-Backbone interact. energy: -0.715
local terms energy: -44.850013
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -11.377
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: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -190.892820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.892820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.012528 (E_RNA)
where:
Base-Base interactions energy: -131.802
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.002
local terms energy: -59.208276
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -16.475
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: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -197.395720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.395720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.479310 (E_RNA)
where:
Base-Base interactions energy: -133.204
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.480
local terms energy: -63.795291
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -13.870
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -185.235204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.235204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.348344 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -50.694
Base-Backbone interact. energy: -0.163
local terms energy: -57.133716
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -10.817
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: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -183.483705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.483705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.522080 (E_RNA)
where:
Base-Base interactions energy: -131.785
where: short stacking energy: -61.665
Base-Backbone interact. energy: 0.688
local terms energy: -52.424901
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -13.515
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: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -176.246641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.246641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.763435 (E_RNA)
where:
Base-Base interactions energy: -118.484
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.002
local terms energy: -58.277966
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -15.296
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: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -173.412434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.412434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.436363 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -49.169
Base-Backbone interact. energy: -1.749
local terms energy: -51.244069
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -7.930
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: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -176.956161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.956161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091883 (E_RNA)
where:
Base-Base interactions energy: -127.019
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.015
local terms energy: -50.058424
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -16.149
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: 366
Temperature: 1.250000
Total energy: -172.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.000785 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -48.508
Base-Backbone interact. energy: 0.662
local terms energy: -53.338129
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -13.727
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: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -171.650737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.650737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.747980 (E_RNA)
where:
Base-Base interactions energy: -119.791
where: short stacking energy: -49.369
Base-Backbone interact. energy: -0.594
local terms energy: -51.362379
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -14.221
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: 366
Temperature: 1.350000
Total energy: -168.018344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.018344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.042916 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -51.659
Base-Backbone interact. energy: -0.055
local terms energy: -53.212305
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -11.319
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: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -194.406620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.422083 (E_RNA)
where:
Base-Base interactions energy: -131.807
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.054
local terms energy: -62.560613
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -14.770
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: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -194.034340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.034340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.056889 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.001
local terms energy: -62.571492
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -14.109
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: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -184.653465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.653465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.653465 (E_RNA)
where:
Base-Base interactions energy: -125.343
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.380
local terms energy: -58.931197
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -10.609
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: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -186.338313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.338313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.397192 (E_RNA)
where:
Base-Base interactions energy: -125.402
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.007
local terms energy: -60.988123
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -14.401
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: 367
Temperature: 1.100000
Total energy: -186.548316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.548316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.579981 (E_RNA)
where:
Base-Base interactions energy: -131.325
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.460
local terms energy: -54.795073
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -14.215
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: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -176.007873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.007873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.007873 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.303
local terms energy: -50.940045
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -6.138
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -16.467
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: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -171.363536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.363536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.481012 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.596
local terms energy: -49.936063
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -5.523
tors. eta vs tors. theta energy: -11.627
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: 367
Temperature: 1.250000
Total energy: -168.416714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.416714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.611733 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -50.271
Base-Backbone interact. energy: -0.002
local terms energy: -56.305223
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -15.315
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: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -176.557945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.557945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680720 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -54.938
Base-Backbone interact. energy: -0.001
local terms energy: -57.222401
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -14.612
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -165.895667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.895667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.940988 (E_RNA)
where:
Base-Base interactions energy: -116.264
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.029
local terms energy: -49.648166
where:
bonds (distance) C4'-P energy: -6.876
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -13.025
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: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -195.173033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.258309 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.001
local terms energy: -65.448225
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -14.612
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -197.023602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.023602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.072512 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -63.573
Base-Backbone interact. energy: -0.056
local terms energy: -62.731423
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -16.162
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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -189.752421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.752421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829216 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.351
local terms energy: -53.230842
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -10.694
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: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -190.972937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.972937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.025104 (E_RNA)
where:
Base-Base interactions energy: -129.317
where: short stacking energy: -59.595
Base-Backbone interact. energy: 0.581
local terms energy: -62.289641
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -16.684
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: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -181.197313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.197313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.197313 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.039
local terms energy: -56.393433
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -181.620202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.620202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.699672 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.033
local terms energy: -55.656838
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -12.126
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: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -174.049015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.076649 (E_RNA)
where:
Base-Base interactions energy: -119.205
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.048
local terms energy: -54.822833
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -15.828
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: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -162.180958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.180958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.201227 (E_RNA)
where:
Base-Base interactions energy: -109.831
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.334
local terms energy: -52.036115
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -175.258446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.258446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.336076 (E_RNA)
where:
Base-Base interactions energy: -123.402
where: short stacking energy: -58.315
Base-Backbone interact. energy: 0.165
local terms energy: -52.098897
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -8.107
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -12.412
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: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -160.410210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.410210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.134407 (E_RNA)
where:
Base-Base interactions energy: -110.397
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.001
local terms energy: -50.736921
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.724 (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: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -193.106429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.106429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.128737 (E_RNA)
where:
Base-Base interactions energy: -130.183
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.692
local terms energy: -62.254495
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -16.740
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: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -195.242189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.242189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.242189 (E_RNA)
where:
Base-Base interactions energy: -134.635
where: short stacking energy: -50.991
Base-Backbone interact. energy: -0.094
local terms energy: -60.513399
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -14.197
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: 369
Temperature: 1.000000
Total energy: -188.925146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.961978 (E_RNA)
where:
Base-Base interactions energy: -130.994
where: short stacking energy: -51.595
Base-Backbone interact. energy: -0.437
local terms energy: -57.531329
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -13.072
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: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -193.037259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.037259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.188633 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.000
local terms energy: -60.485496
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -15.957
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: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -182.516519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.516519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.544773 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -58.446
Base-Backbone interact. energy: -0.065
local terms energy: -54.192064
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -13.413
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: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -176.159510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.159510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.495054 (E_RNA)
where:
Base-Base interactions energy: -122.370
where: short stacking energy: -55.944
Base-Backbone interact. energy: -0.000
local terms energy: -54.125079
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -7.710
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -14.775
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: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -172.108202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.167858 (E_RNA)
where:
Base-Base interactions energy: -115.651
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.027
local terms energy: -56.490235
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -17.279
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -165.543366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.543366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.543366 (E_RNA)
where:
Base-Base interactions energy: -116.520
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.265
local terms energy: -48.757984
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -162.099493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.099493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167586 (E_RNA)
where:
Base-Base interactions energy: -108.507
where: short stacking energy: -46.583
Base-Backbone interact. energy: -0.253
local terms energy: -53.407077
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -10.790
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: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -178.072861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.072861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.114529 (E_RNA)
where:
Base-Base interactions energy: -123.448
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.001
local terms energy: -54.665071
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -14.119
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: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -192.281120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.281120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.294637 (E_RNA)
where:
Base-Base interactions energy: -130.700
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.658
local terms energy: -60.936959
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -13.389
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -193.409425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.463058 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -57.301
Base-Backbone interact. energy: -0.027
local terms energy: -63.879048
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -17.551
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: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -186.010031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.010031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.068530 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.001
local terms energy: -55.535608
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -14.942
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: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -186.978303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.978303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.997831 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.576
local terms energy: -61.373325
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.020 (S_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: 370
Temperature: 1.100000
Total energy: -184.475343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.489418 (E_RNA)
where:
Base-Base interactions energy: -125.796
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.317
local terms energy: -58.376327
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.133
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -178.209229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.209229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.209229 (E_RNA)
where:
Base-Base interactions energy: -123.185
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.036
local terms energy: -54.988356
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -11.773
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: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -167.790513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.849053 (E_RNA)
where:
Base-Base interactions energy: -114.159
where: short stacking energy: -45.065
Base-Backbone interact. energy: -0.482
local terms energy: -53.208515
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -7.910
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: 370
Temperature: 1.250000
Total energy: -170.436552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.436552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.664353 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -56.290
Base-Backbone interact. energy: -0.097
local terms energy: -46.734338
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -5.975
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -15.070
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: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -171.188819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.188819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247723 (E_RNA)
where:
Base-Base interactions energy: -124.263
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.000
local terms energy: -46.984942
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -12.754
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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -162.780482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.780482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.889140 (E_RNA)
where:
Base-Base interactions energy: -110.205
where: short stacking energy: -43.594
Base-Backbone interact. energy: -0.872
local terms energy: -51.812490
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -13.264
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -192.067236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104958 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -49.505
Base-Backbone interact. energy: -0.099
local terms energy: -60.189092
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -12.992
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: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -192.054884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.054884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.066332 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.214
local terms energy: -62.596698
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -15.340
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: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -186.802821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.802821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.815358 (E_RNA)
where:
Base-Base interactions energy: -127.457
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.001
local terms energy: -59.357906
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -16.873
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: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -185.507464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.507464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.521538 (E_RNA)
where:
Base-Base interactions energy: -125.553
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.007
local terms energy: -59.961199
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.731
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: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -188.736707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.736707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.740767 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.187
local terms energy: -57.449420
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -13.219
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: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -170.441284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.441284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.441284 (E_RNA)
where:
Base-Base interactions energy: -118.994
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.003
local terms energy: -51.444081
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -12.683
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: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -187.685439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.758788 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.012
local terms energy: -57.809225
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -17.919
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: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -179.911500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.911500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956026 (E_RNA)
where:
Base-Base interactions energy: -121.392
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.060
local terms energy: -58.503886
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -13.227
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: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -165.132146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.132146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.138839 (E_RNA)
where:
Base-Base interactions energy: -115.205
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.699
local terms energy: -49.235323
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -12.759
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: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -164.378094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.378094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.543038 (E_RNA)
where:
Base-Base interactions energy: -114.976
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.000
local terms energy: -49.567173
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -12.443
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: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -194.056731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.056731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057670 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.398
local terms energy: -61.445315
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -14.974
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: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -188.685345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.685345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.685345 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -55.456
Base-Backbone interact. energy: 0.223
local terms energy: -61.188783
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -14.433
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: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -193.562285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.562285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562285 (E_RNA)
where:
Base-Base interactions energy: -132.331
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.002
local terms energy: -61.229313
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -13.849
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -184.209249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.209249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.279694 (E_RNA)
where:
Base-Base interactions energy: -126.605
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.001
local terms energy: -57.674337
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -16.711
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: 372
Temperature: 1.100000
Total energy: -181.395396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.395396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.490892 (E_RNA)
where:
Base-Base interactions energy: -125.007
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.002
local terms energy: -56.481646
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -14.906
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -179.081274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.081274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.145300 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.008
local terms energy: -56.235815
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -10.409
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: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -176.075518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.075518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.164790 (E_RNA)
where:
Base-Base interactions energy: -119.285
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.000
local terms energy: -56.879150
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -15.006
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: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -167.422881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.422881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.550636 (E_RNA)
where:
Base-Base interactions energy: -114.363
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.046
local terms energy: -53.141944
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -14.638
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: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -171.032439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.048568 (E_RNA)
where:
Base-Base interactions energy: -120.803
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.088
local terms energy: -50.157444
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -8.184
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -12.427
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: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -166.183521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.183521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.255287 (E_RNA)
where:
Base-Base interactions energy: -116.588
where: short stacking energy: -47.964
Base-Backbone interact. energy: 0.379
local terms energy: -50.045967
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -12.698
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: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -193.190964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.190964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.227473 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.022
local terms energy: -59.245951
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -11.150
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: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -194.553763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.553763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.745058 (E_RNA)
where:
Base-Base interactions energy: -131.815
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.466
local terms energy: -62.463336
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -15.062
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -190.985768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.985768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.016362 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.018
local terms energy: -57.565511
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -16.467
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: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -180.958710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.970416 (E_RNA)
where:
Base-Base interactions energy: -120.834
where: short stacking energy: -52.554
Base-Backbone interact. energy: -0.027
local terms energy: -60.109678
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -13.728
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: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -180.514102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.516249 (E_RNA)
where:
Base-Base interactions energy: -125.785
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.004
local terms energy: -54.727644
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.002 (S_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: 373
Temperature: 1.150000
Total energy: -172.066603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.268147 (E_RNA)
where:
Base-Base interactions energy: -118.665
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.028
local terms energy: -53.575033
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -13.253
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: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -175.074403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.074403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.084953 (E_RNA)
where:
Base-Base interactions energy: -125.684
where: short stacking energy: -52.436
Base-Backbone interact. energy: -0.125
local terms energy: -49.275804
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -9.517
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: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -175.265101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.265101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.265101 (E_RNA)
where:
Base-Base interactions energy: -119.341
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.010
local terms energy: -55.913335
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -7.388
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -169.522652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.522652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.632641 (E_RNA)
where:
Base-Base interactions energy: -116.463
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.031
local terms energy: -53.138579
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -11.883
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: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -179.159241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.159241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.161764 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.006
local terms energy: -58.358487
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -12.208
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: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -194.082444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.082444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.155171 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.291
local terms energy: -60.158303
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -16.509
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: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -190.887947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.887947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.962207 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.006
local terms energy: -61.081587
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -12.716
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: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -187.738271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.738271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.817562 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.001
local terms energy: -62.768684
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -15.786
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: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -188.964448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964448 (E_RNA)
where:
Base-Base interactions energy: -130.250
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.022
local terms energy: -58.692542
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -15.396
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: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -183.106717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.153908 (E_RNA)
where:
Base-Base interactions energy: -129.872
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.300
local terms energy: -52.981560
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -12.399
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: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -173.624893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.624893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.762300 (E_RNA)
where:
Base-Base interactions energy: -120.391
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.696
local terms energy: -52.675363
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -11.374
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: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -173.825039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.825039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.844876 (E_RNA)
where:
Base-Base interactions energy: -119.560
where: short stacking energy: -52.509
Base-Backbone interact. energy: 1.969
local terms energy: -56.253887
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -161.442595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.442595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.524798 (E_RNA)
where:
Base-Base interactions energy: -116.300
where: short stacking energy: -49.046
Base-Backbone interact. energy: -0.027
local terms energy: -45.198698
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -7.262
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -11.875
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: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -169.985925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.985925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.026489 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -46.643
Base-Backbone interact. energy: -0.785
local terms energy: -53.979133
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -13.576
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: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -159.868368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.868368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.935002 (E_RNA)
where:
Base-Base interactions energy: -118.961
where: short stacking energy: -54.572
Base-Backbone interact. energy: -0.017
local terms energy: -40.956915
where:
bonds (distance) C4'-P energy: 1.989
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -15.379
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -190.517950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.517950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.596383 (E_RNA)
where:
Base-Base interactions energy: -134.626
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.002
local terms energy: -55.968103
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -16.205
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -190.942763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.942763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.942763 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -53.979
Base-Backbone interact. energy: -0.012
local terms energy: -54.728489
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -187.740885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.740885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.740885 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -49.682
Base-Backbone interact. energy: -0.130
local terms energy: -56.324566
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -12.356
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: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -188.501497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.501497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.533799 (E_RNA)
where:
Base-Base interactions energy: -127.416
where: short stacking energy: -57.312
Base-Backbone interact. energy: -0.001
local terms energy: -61.116843
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -13.129
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: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -183.867128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.867128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.873633 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.086
local terms energy: -54.121677
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -9.343
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: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -181.683967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.683967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718623 (E_RNA)
where:
Base-Base interactions energy: -128.833
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.000
local terms energy: -52.885243
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -16.496
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: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -172.666031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.666031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.906587 (E_RNA)
where:
Base-Base interactions energy: -117.614
where: short stacking energy: -53.440
Base-Backbone interact. energy: -0.004
local terms energy: -55.288339
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -13.743
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: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -168.708700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.708700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.874183 (E_RNA)
where:
Base-Base interactions energy: -118.138
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.035
local terms energy: -50.701160
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -13.512
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: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -166.776316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.776316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.837895 (E_RNA)
where:
Base-Base interactions energy: -119.885
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.015
local terms energy: -46.938691
where:
bonds (distance) C4'-P energy: -3.955
bonds (distance) P-C4' energy: -8.158
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -12.246
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: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -169.219465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.219465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.219465 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.001
local terms energy: -51.969617
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -197.770300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.770300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.016018 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -55.153
Base-Backbone interact. energy: -0.035
local terms energy: -59.663916
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -11.392
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -192.863132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.863132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.863132 (E_RNA)
where:
Base-Base interactions energy: -128.494
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.007
local terms energy: -64.361565
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -17.215
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: 376
Temperature: 1.000000
Total energy: -185.228014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.228014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.354362 (E_RNA)
where:
Base-Base interactions energy: -126.547
where: short stacking energy: -56.935
Base-Backbone interact. energy: -0.084
local terms energy: -58.723375
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -14.387
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: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -189.792939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.792939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.806456 (E_RNA)
where:
Base-Base interactions energy: -133.205
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.005
local terms energy: -56.596592
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -12.839
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: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -182.921210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.921210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.016233 (E_RNA)
where:
Base-Base interactions energy: -126.663
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.302
local terms energy: -56.051494
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.700
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -165.810378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.819388 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -47.953
Base-Backbone interact. energy: -0.004
local terms energy: -49.908262
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -10.079
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -170.406816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.406816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.446230 (E_RNA)
where:
Base-Base interactions energy: -112.192
where: short stacking energy: -49.079
Base-Backbone interact. energy: -0.420
local terms energy: -57.834429
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -12.303
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: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -171.783728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.783728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.797500 (E_RNA)
where:
Base-Base interactions energy: -122.033
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.635
local terms energy: -49.130210
where:
bonds (distance) C4'-P energy: -6.347
bonds (distance) P-C4' energy: -7.239
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -11.503
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: 376
Temperature: 1.300000
Total energy: -176.048366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.048366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.086612 (E_RNA)
where:
Base-Base interactions energy: -118.843
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.093
local terms energy: -57.150849
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -12.105
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: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -163.693078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.693078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.793102 (E_RNA)
where:
Base-Base interactions energy: -112.122
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.101
local terms energy: -51.570285
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -12.920
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -194.932507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.938091 (E_RNA)
where:
Base-Base interactions energy: -135.646
where: short stacking energy: -53.686
Base-Backbone interact. energy: -0.328
local terms energy: -58.963735
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -12.895
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: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -189.950646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.950646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.135014 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -62.052
Base-Backbone interact. energy: -0.069
local terms energy: -57.409798
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -16.062
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: 377
Temperature: 1.000000
Total energy: -193.261817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.261817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.261817 (E_RNA)
where:
Base-Base interactions energy: -133.473
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.000
local terms energy: -59.789047
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -14.288
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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -186.883817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.883817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.888333 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.023
local terms energy: -56.745748
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -12.493
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: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -184.926748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.926748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926748 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.422
local terms energy: -57.247611
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -186.038828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.038828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.104142 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -55.901
Base-Backbone interact. energy: -0.210
local terms energy: -47.544569
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -10.011
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: 377
Temperature: 1.200000
Total energy: -175.783386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.783386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.831732 (E_RNA)
where:
Base-Base interactions energy: -118.566
where: short stacking energy: -50.314
Base-Backbone interact. energy: -0.704
local terms energy: -56.561512
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -12.355
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: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -166.107706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.107706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.266734 (E_RNA)
where:
Base-Base interactions energy: -116.724
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.051
local terms energy: -49.491094
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -6.603
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -12.589
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: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -166.371331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.371331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.427712 (E_RNA)
where:
Base-Base interactions energy: -116.706
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.006
local terms energy: -49.716466
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -12.105
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: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -172.713025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.861000 (E_RNA)
where:
Base-Base interactions energy: -123.294
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.015
local terms energy: -49.551899
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -7.717
flat angles C4'-P-C4' energy: -7.072
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -14.344
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: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -192.238168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.238168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.460809 (E_RNA)
where:
Base-Base interactions energy: -132.842
where: short stacking energy: -55.018
Base-Backbone interact. energy: -0.090
local terms energy: -59.528810
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -13.160
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: 378
Temperature: 0.950000
Total energy: -188.522159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615101 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -58.277
Base-Backbone interact. energy: 0.160
local terms energy: -62.526656
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -14.402
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: 378
Temperature: 1.000000
Total energy: -182.849549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.104628 (E_RNA)
where:
Base-Base interactions energy: -124.954
where: short stacking energy: -55.184
Base-Backbone interact. energy: -0.575
local terms energy: -57.575479
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -12.619
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -185.398033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.398033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553813 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.023
local terms energy: -52.962349
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -15.139
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -179.735044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.735044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.735044 (E_RNA)
where:
Base-Base interactions energy: -123.736
where: short stacking energy: -53.464
Base-Backbone interact. energy: -0.004
local terms energy: -55.995429
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -172.114668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.114668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.315555 (E_RNA)
where:
Base-Base interactions energy: -123.588
where: short stacking energy: -48.312
Base-Backbone interact. energy: -0.217
local terms energy: -48.509884
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -7.070
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -10.748
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: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -173.305642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.305642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.305642 (E_RNA)
where:
Base-Base interactions energy: -116.196
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.262
local terms energy: -56.847511
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -172.932517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.932517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041437 (E_RNA)
where:
Base-Base interactions energy: -114.852
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.001
local terms energy: -58.188530
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -15.469
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: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -168.780053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.780053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.822280 (E_RNA)
where:
Base-Base interactions energy: -115.725
where: short stacking energy: -48.178
Base-Backbone interact. energy: -0.000
local terms energy: -53.096385
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -8.652
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -13.109
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -173.315727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.315727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.464403 (E_RNA)
where:
Base-Base interactions energy: -118.595
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.012
local terms energy: -54.857046
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -15.883
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: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -190.868926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.868926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.910949 (E_RNA)
where:
Base-Base interactions energy: -130.223
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.067
local terms energy: -60.621452
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -11.276
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -193.177166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.177166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.221139 (E_RNA)
where:
Base-Base interactions energy: -132.040
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.344
local terms energy: -60.837425
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -15.848
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -188.895083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.895083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.895083 (E_RNA)
where:
Base-Base interactions energy: -128.561
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.002
local terms energy: -60.331696
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -13.889
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: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -179.498419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.498419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857501 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.116
local terms energy: -56.359272
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -12.850
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: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -171.590387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.590387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.605392 (E_RNA)
where:
Base-Base interactions energy: -116.769
where: short stacking energy: -52.263
Base-Backbone interact. energy: -0.054
local terms energy: -54.782565
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -9.139
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: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -177.770107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.770107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.770107 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -56.472
Base-Backbone interact. energy: -0.059
local terms energy: -52.973334
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -175.809644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809644 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.004
local terms energy: -51.737456
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -164.154169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.154169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.241714 (E_RNA)
where:
Base-Base interactions energy: -111.839
where: short stacking energy: -50.030
Base-Backbone interact. energy: -0.003
local terms energy: -52.399188
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -13.989
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: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -173.480036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.480036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.508610 (E_RNA)
where:
Base-Base interactions energy: -126.301
where: short stacking energy: -48.392
Base-Backbone interact. energy: -0.453
local terms energy: -46.754039
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -10.941
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -160.575722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.575722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.627157 (E_RNA)
where:
Base-Base interactions energy: -117.726
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.009
local terms energy: -42.892258
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -2.863
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.453
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: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -192.542009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.542009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.542009 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.004
local terms energy: -60.905168
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -16.408
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: 380
Temperature: 0.950000
Total energy: -192.967288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.967288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.000161 (E_RNA)
where:
Base-Base interactions energy: -129.019
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.047
local terms energy: -63.934745
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -14.364
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -178.359447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.359447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.445246 (E_RNA)
where:
Base-Base interactions energy: -122.821
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.001
local terms energy: -55.623356
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -12.719
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: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -185.668232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.761014 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.099
local terms energy: -58.462683
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -14.386
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: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -179.267723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.267723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.367233 (E_RNA)
where:
Base-Base interactions energy: -128.236
where: short stacking energy: -59.689
Base-Backbone interact. energy: 3.440
local terms energy: -54.571781
where:
bonds (distance) C4'-P energy: -7.108
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.787
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: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -181.668132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.668132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842298 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.002
local terms energy: -56.073410
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -15.411
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: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -176.819190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.819190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877886 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -49.250
Base-Backbone interact. energy: -0.441
local terms energy: -56.455029
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -15.542
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: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -165.745253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.745253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.951252 (E_RNA)
where:
Base-Base interactions energy: -118.337
where: short stacking energy: -45.502
Base-Backbone interact. energy: -0.123
local terms energy: -47.491151
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -10.011
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: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -169.568576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.568576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.631287 (E_RNA)
where:
Base-Base interactions energy: -114.336
where: short stacking energy: -45.618
Base-Backbone interact. energy: -0.000
local terms energy: -55.294678
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -15.856
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: 380
Temperature: 1.350000
Total energy: -160.938119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.938119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.190802 (E_RNA)
where:
Base-Base interactions energy: -107.348
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.196
local terms energy: -53.646676
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -8.493
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -194.449214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.692309 (E_RNA)
where:
Base-Base interactions energy: -130.208
where: short stacking energy: -63.826
Base-Backbone interact. energy: -0.002
local terms energy: -64.482869
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -17.703
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: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -184.424592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.424592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524340 (E_RNA)
where:
Base-Base interactions energy: -126.157
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.000
local terms energy: -58.367700
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -12.485
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: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -187.456690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.456690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.551946 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -51.738
Base-Backbone interact. energy: -0.532
local terms energy: -54.658349
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -5.340
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -12.763
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: 381
Temperature: 1.050000
Total energy: -184.017078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.017078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.129201 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.000
local terms energy: -54.237382
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -16.003
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: 381
Temperature: 1.100000
Total energy: -182.050199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.050199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.096918 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -58.476
Base-Backbone interact. energy: -0.002
local terms energy: -58.673039
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -15.971
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: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -176.408731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.408731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.453597 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -53.915
Base-Backbone interact. energy: -0.101
local terms energy: -56.120153
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -16.277
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -169.806281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.806281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899870 (E_RNA)
where:
Base-Base interactions energy: -119.250
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.006
local terms energy: -50.643713
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -11.256
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: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -175.503600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.503600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.681531 (E_RNA)
where:
Base-Base interactions energy: -119.733
where: short stacking energy: -52.822
Base-Backbone interact. energy: -0.089
local terms energy: -55.859363
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -13.637
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: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -171.189159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.189159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.236911 (E_RNA)
where:
Base-Base interactions energy: -114.841
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.483
local terms energy: -55.912160
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -11.611
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: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -157.841747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.841747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.882687 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.044
local terms energy: -48.123295
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -10.967
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -193.379086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.379086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.431994 (E_RNA)
where:
Base-Base interactions energy: -132.180
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.021
local terms energy: -61.230748
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -16.576
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -184.955847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.955847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.012099 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.002
local terms energy: -61.538953
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -13.358
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: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -191.192311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238426 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.825
local terms energy: -53.972598
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -12.895
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -180.949443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.949443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.037180 (E_RNA)
where:
Base-Base interactions energy: -123.593
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.676
local terms energy: -56.768731
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.606
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: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -185.995540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.995540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.077167 (E_RNA)
where:
Base-Base interactions energy: -126.767
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.016
local terms energy: -59.294995
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -15.052
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: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -183.867032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.867032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.884542 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.365
local terms energy: -55.596742
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -17.202
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -168.530967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.530967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.601593 (E_RNA)
where:
Base-Base interactions energy: -116.949
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.091
local terms energy: -51.562062
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -10.216
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: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -164.521348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.521348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.604262 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.041
local terms energy: -47.616051
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -10.117
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -163.158918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.158918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.171240 (E_RNA)
where:
Base-Base interactions energy: -113.641
where: short stacking energy: -43.513
Base-Backbone interact. energy: -0.126
local terms energy: -49.404156
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -11.321
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: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -166.897717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.060078 (E_RNA)
where:
Base-Base interactions energy: -115.386
where: short stacking energy: -41.948
Base-Backbone interact. energy: -0.026
local terms energy: -51.648106
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -8.541
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: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -194.852069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.855546 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.003
local terms energy: -64.461359
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -18.069
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: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -190.960006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.960006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.960006 (E_RNA)
where:
Base-Base interactions energy: -135.996
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.055
local terms energy: -54.909314
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -12.485
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: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -188.209771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.209771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.273489 (E_RNA)
where:
Base-Base interactions energy: -128.352
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.025
local terms energy: -59.896875
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.349
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -17.799
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: 383
Temperature: 1.050000
Total energy: -186.553961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.553961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.553961 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -54.002
Base-Backbone interact. energy: 0.561
local terms energy: -64.732645
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -14.545
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: 383
Temperature: 1.100000
Total energy: -181.841756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.841756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.063888 (E_RNA)
where:
Base-Base interactions energy: -133.432
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.085
local terms energy: -48.546780
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -13.889
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: 383
Temperature: 1.150000
Total energy: -183.765519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.765519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.806712 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -55.545
Base-Backbone interact. energy: 1.102
local terms energy: -57.509875
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.247
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: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -171.284996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.284996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.464035 (E_RNA)
where:
Base-Base interactions energy: -118.590
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.001
local terms energy: -52.872764
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -15.640
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: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -172.236907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.236907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.319477 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -49.574
Base-Backbone interact. energy: -1.000
local terms energy: -50.939102
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -7.456
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -13.571
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -174.890601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.995219 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.037
local terms energy: -48.892784
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -11.901
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -163.395588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.395588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.482862 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -49.657
Base-Backbone interact. energy: 0.087
local terms energy: -42.308531
where:
bonds (distance) C4'-P energy: -4.695
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -11.649
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: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -193.111260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.144815 (E_RNA)
where:
Base-Base interactions energy: -132.017
where: short stacking energy: -53.932
Base-Backbone interact. energy: -1.108
local terms energy: -60.019455
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -13.574
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -188.767485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.767485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.025087 (E_RNA)
where:
Base-Base interactions energy: -130.602
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.330
local terms energy: -58.092596
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -15.416
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: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -188.576990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.576990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.576990 (E_RNA)
where:
Base-Base interactions energy: -130.526
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.373
local terms energy: -57.677713
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -15.498
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: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -180.519171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.519171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.523292 (E_RNA)
where:
Base-Base interactions energy: -127.060
where: short stacking energy: -59.527
Base-Backbone interact. energy: -0.049
local terms energy: -53.414511
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -12.776
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -180.152712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.152712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.189757 (E_RNA)
where:
Base-Base interactions energy: -118.968
where: short stacking energy: -53.654
Base-Backbone interact. energy: -0.019
local terms energy: -61.202243
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -13.124
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: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -180.200299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.200299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.408193 (E_RNA)
where:
Base-Base interactions energy: -121.628
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.001
local terms energy: -58.778830
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -13.986
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: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -175.652170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.652170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.688532 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -48.136
Base-Backbone interact. energy: -0.002
local terms energy: -55.750290
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -15.840
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: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -177.362059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532125 (E_RNA)
where:
Base-Base interactions energy: -126.935
where: short stacking energy: -47.903
Base-Backbone interact. energy: 0.618
local terms energy: -51.214580
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -8.340
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: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -156.391603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.391603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.593360 (E_RNA)
where:
Base-Base interactions energy: -114.555
where: short stacking energy: -42.726
Base-Backbone interact. energy: 0.665
local terms energy: -42.703296
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -5.940
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: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -167.406739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.406739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.408582 (E_RNA)
where:
Base-Base interactions energy: -120.984
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.010
local terms energy: -46.414714
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -8.579
flat angles C4'-P-C4' energy: -4.908
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -191.516123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516123 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.028
local terms energy: -56.958897
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -12.551
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -191.121701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.121701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.208151 (E_RNA)
where:
Base-Base interactions energy: -131.293
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.021
local terms energy: -59.894886
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -15.986
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -183.469952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.469952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.475772 (E_RNA)
where:
Base-Base interactions energy: -124.185
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.173
local terms energy: -59.117734
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -15.813
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: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -185.613284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.613284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.696654 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -61.524
Base-Backbone interact. energy: 2.218
local terms energy: -56.742892
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -14.245
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: 385
Temperature: 1.100000
Total energy: -179.365450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.365450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.384202 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.000
local terms energy: -56.453159
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -15.395
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: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -185.901959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.901959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.909169 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.490
local terms energy: -52.294542
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -7.703
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: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -179.027538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.027538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275046 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.576
local terms energy: -54.159276
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -17.649
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: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -169.190785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.190785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.190785 (E_RNA)
where:
Base-Base interactions energy: -119.463
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.025
local terms energy: -49.702118
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -168.422643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.422643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.465978 (E_RNA)
where:
Base-Base interactions energy: -120.666
where: short stacking energy: -49.724
Base-Backbone interact. energy: -0.014
local terms energy: -47.785506
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -1.778
tors. eta vs tors. theta energy: -12.136
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -175.737244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.737244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.763705 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -52.868
Base-Backbone interact. energy: -0.001
local terms energy: -49.618049
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -13.483
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: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -190.690751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690751 (E_RNA)
where:
Base-Base interactions energy: -129.083
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.009
local terms energy: -61.598369
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -14.492
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: 386
Temperature: 0.950000
Total energy: -191.662597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.662597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.662597 (E_RNA)
where:
Base-Base interactions energy: -132.754
where: short stacking energy: -55.519
Base-Backbone interact. energy: 0.934
local terms energy: -59.842196
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -13.637
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: 386
Temperature: 1.000000
Total energy: -187.090275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.090275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.159288 (E_RNA)
where:
Base-Base interactions energy: -129.489
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.207
local terms energy: -57.462990
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -15.594
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -186.281259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.281259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.281259 (E_RNA)
where:
Base-Base interactions energy: -126.422
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.000
local terms energy: -59.859082
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -179.559804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.559804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.713201 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.000
local terms energy: -60.239190
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.119
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: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -185.066931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.066931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.131726 (E_RNA)
where:
Base-Base interactions energy: -123.810
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.043
local terms energy: -61.278344
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -12.044
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: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -175.290512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.290512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.312634 (E_RNA)
where:
Base-Base interactions energy: -122.001
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.002
local terms energy: -53.309824
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -11.748
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: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -174.820554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.820554 (E_RNA)
where:
Base-Base interactions energy: -118.086
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.024
local terms energy: -56.710199
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -160.562580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.562580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.079511 (E_RNA)
where:
Base-Base interactions energy: -107.971
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.485
local terms energy: -52.623446
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -11.934
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: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -161.619905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.619905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.996974 (E_RNA)
where:
Base-Base interactions energy: -107.421
where: short stacking energy: -43.122
Base-Backbone interact. energy: -0.029
local terms energy: -54.547203
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -10.843
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: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -192.433819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.433819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.433819 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.015
local terms energy: -61.593190
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -15.065
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: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -185.937148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.937148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.002440 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.005
local terms energy: -57.011213
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.046
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: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -189.612484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.612484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653589 (E_RNA)
where:
Base-Base interactions energy: -132.397
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.039
local terms energy: -57.217487
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -10.591
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -189.999027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.999027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.063675 (E_RNA)
where:
Base-Base interactions energy: -129.667
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.002
local terms energy: -60.394677
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -17.819
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: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -183.856333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856333 (E_RNA)
where:
Base-Base interactions energy: -123.295
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.020
local terms energy: -60.541185
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -180.675804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.675804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.775567 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.029
local terms energy: -61.902139
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -14.306
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: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -176.454111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.454111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.478204 (E_RNA)
where:
Base-Base interactions energy: -123.203
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.002
local terms energy: -53.273223
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -13.354
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -174.208935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.208935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493862 (E_RNA)
where:
Base-Base interactions energy: -118.699
where: short stacking energy: -52.693
Base-Backbone interact. energy: -0.048
local terms energy: -55.747742
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -15.074
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: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -166.934609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.934609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.178917 (E_RNA)
where:
Base-Base interactions energy: -116.093
where: short stacking energy: -48.062
Base-Backbone interact. energy: -0.376
local terms energy: -50.709036
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -12.274
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: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -170.497315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.497315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.616037 (E_RNA)
where:
Base-Base interactions energy: -116.706
where: short stacking energy: -47.693
Base-Backbone interact. energy: 0.089
local terms energy: -53.999016
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -13.794
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -191.890767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.927384 (E_RNA)
where:
Base-Base interactions energy: -127.545
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.001
local terms energy: -64.381038
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -13.741
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: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -191.678814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.678814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.744192 (E_RNA)
where:
Base-Base interactions energy: -130.923
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.029
local terms energy: -60.791285
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -15.008
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: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -192.091479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.091479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.111418 (E_RNA)
where:
Base-Base interactions energy: -135.973
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.073
local terms energy: -56.065970
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -11.304
Dist. restrs. and SS energy: 0.020 (S_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: 388
Temperature: 1.050000
Total energy: -186.383845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.383845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.409754 (E_RNA)
where:
Base-Base interactions energy: -133.288
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.015
local terms energy: -53.106930
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -15.319
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: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -186.805974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.805974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.821982 (E_RNA)
where:
Base-Base interactions energy: -127.649
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.021
local terms energy: -59.151345
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.552
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -180.040578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.040578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.089081 (E_RNA)
where:
Base-Base interactions energy: -121.504
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.574
local terms energy: -58.010770
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -14.643
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: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -167.495682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.495682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.576423 (E_RNA)
where:
Base-Base interactions energy: -114.398
where: short stacking energy: -51.046
Base-Backbone interact. energy: -0.030
local terms energy: -53.147731
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -10.108
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -174.269456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.269456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.368455 (E_RNA)
where:
Base-Base interactions energy: -119.315
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.825
local terms energy: -54.228651
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -7.995
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -14.568
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: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -165.947445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.947445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.973279 (E_RNA)
where:
Base-Base interactions energy: -113.521
where: short stacking energy: -47.453
Base-Backbone interact. energy: -0.195
local terms energy: -52.258018
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -9.359
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: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -158.141549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.141549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.537860 (E_RNA)
where:
Base-Base interactions energy: -105.724
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.523
local terms energy: -52.290972
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -13.587
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: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -194.185462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.185462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.192584 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.106
local terms energy: -62.875992
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -16.467
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: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -190.182961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.182961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.185847 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -56.610
Base-Backbone interact. energy: 0.409
local terms energy: -57.168808
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -12.722
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: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -187.825718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.825718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.921171 (E_RNA)
where:
Base-Base interactions energy: -128.469
where: short stacking energy: -59.648
Base-Backbone interact. energy: 0.745
local terms energy: -60.197247
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -15.814
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: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -183.947280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.947280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.968871 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -59.307
Base-Backbone interact. energy: 0.698
local terms energy: -56.170998
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -14.063
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: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -187.052753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.052753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.118711 (E_RNA)
where:
Base-Base interactions energy: -126.725
where: short stacking energy: -56.301
Base-Backbone interact. energy: -0.004
local terms energy: -60.389408
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -15.597
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: 389
Temperature: 1.150000
Total energy: -172.403568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.403568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.520334 (E_RNA)
where:
Base-Base interactions energy: -118.395
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.000
local terms energy: -54.125209
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -14.837
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: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -169.202982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.202982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.276619 (E_RNA)
where:
Base-Base interactions energy: -117.994
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.010
local terms energy: -51.272633
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -9.214
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: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -170.226221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.226221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.268840 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.098
local terms energy: -42.152982
where:
bonds (distance) C4'-P energy: -2.572
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -10.804
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: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -174.750927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.750927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.981284 (E_RNA)
where:
Base-Base interactions energy: -121.711
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.005
local terms energy: -53.265378
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -13.381
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: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -169.896942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.896942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.896942 (E_RNA)
where:
Base-Base interactions energy: -115.381
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.026
local terms energy: -54.490205
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -194.025039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.025039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.052297 (E_RNA)
where:
Base-Base interactions energy: -139.130
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.136
local terms energy: -54.786770
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -9.763
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: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -193.042479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.042479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.047427 (E_RNA)
where:
Base-Base interactions energy: -130.561
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.011
local terms energy: -62.475428
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -15.508
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: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -188.036730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.036730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142495 (E_RNA)
where:
Base-Base interactions energy: -131.032
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.001
local terms energy: -57.109381
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -14.688
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -188.406927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.406927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.406927 (E_RNA)
where:
Base-Base interactions energy: -129.063
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.023
local terms energy: -59.321199
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -14.878
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: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -175.776226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.776226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.856744 (E_RNA)
where:
Base-Base interactions energy: -125.347
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.364
local terms energy: -50.145734
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -8.752
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -13.305
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -183.994047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.994047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.107969 (E_RNA)
where:
Base-Base interactions energy: -122.619
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.000
local terms energy: -61.488935
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -16.444
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: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -175.815508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.815508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.950954 (E_RNA)
where:
Base-Base interactions energy: -118.323
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.001
local terms energy: -57.627098
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -13.860
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -172.554187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.554187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.644817 (E_RNA)
where:
Base-Base interactions energy: -113.428
where: short stacking energy: -47.960
Base-Backbone interact. energy: -0.001
local terms energy: -59.215519
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -17.426
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: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -171.001645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.001645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.016602 (E_RNA)
where:
Base-Base interactions energy: -120.481
where: short stacking energy: -57.220
Base-Backbone interact. energy: -1.551
local terms energy: -48.985002
where:
bonds (distance) C4'-P energy: -5.791
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -13.091
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -153.575813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.575813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.591076 (E_RNA)
where:
Base-Base interactions energy: -104.708
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.033
local terms energy: -48.850081
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -7.246
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: 1, replica: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -193.480197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.480197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.480841 (E_RNA)
where:
Base-Base interactions energy: -138.094
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.283
local terms energy: -55.103030
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -10.932
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: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -190.344232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.344232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.344232 (E_RNA)
where:
Base-Base interactions energy: -131.203
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.000
local terms energy: -59.140941
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -16.719
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: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -191.021531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.021531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.041584 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.016
local terms energy: -58.859310
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.020 (S_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: 391
Temperature: 1.050000
Total energy: -185.630516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.630516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.678531 (E_RNA)
where:
Base-Base interactions energy: -125.948
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.045
local terms energy: -59.684860
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -15.796
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: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -179.288208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.288208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.441431 (E_RNA)
where:
Base-Base interactions energy: -126.284
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.001
local terms energy: -53.156676
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -12.624
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: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -175.062193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.062193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.868138 (E_RNA)
where:
Base-Base interactions energy: -121.776
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.001
local terms energy: -54.091454
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -176.568857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.568857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.614368 (E_RNA)
where:
Base-Base interactions energy: -126.501
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.108
local terms energy: -50.005809
where:
bonds (distance) C4'-P energy: -3.321
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -16.519
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: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -173.210090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.210090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.355268 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -52.714
Base-Backbone interact. energy: -0.021
local terms energy: -48.675802
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -13.206
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: 391
Temperature: 1.300000
Total energy: -166.735553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.735553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.735553 (E_RNA)
where:
Base-Base interactions energy: -119.380
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.000
local terms energy: -47.355461
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -159.232498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.232498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.233132 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.024
local terms energy: -39.691613
where:
bonds (distance) C4'-P energy: -6.026
bonds (distance) P-C4' energy: -9.326
flat angles C4'-P-C4' energy: -6.498
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -11.089
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -196.797867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.797867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.860751 (E_RNA)
where:
Base-Base interactions energy: -137.786
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.360
local terms energy: -58.714536
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -15.907
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: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -190.972072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.972072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.200518 (E_RNA)
where:
Base-Base interactions energy: -132.439
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.008
local terms energy: -58.753761
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -11.787
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: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -188.078547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120896 (E_RNA)
where:
Base-Base interactions energy: -130.650
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.001
local terms energy: -57.470272
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -16.142
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: 392
Temperature: 1.050000
Total energy: -182.633617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.641446 (E_RNA)
where:
Base-Base interactions energy: -124.410
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.016
local terms energy: -58.215432
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -17.849
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: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -186.117817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.117817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320376 (E_RNA)
where:
Base-Base interactions energy: -127.003
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.021
local terms energy: -59.297047
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -14.687
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: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -166.688527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.688527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.688527 (E_RNA)
where:
Base-Base interactions energy: -112.144
where: short stacking energy: -42.845
Base-Backbone interact. energy: -0.124
local terms energy: -54.420894
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -10.129
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: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -171.519507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.519507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.599022 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -51.246
Base-Backbone interact. energy: -0.051
local terms energy: -47.932747
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -13.267
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: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -175.226119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.226119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.425988 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -50.314
Base-Backbone interact. energy: -0.000
local terms energy: -57.896990
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -14.183
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: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -162.695770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.695770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.705152 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -43.927
Base-Backbone interact. energy: -0.443
local terms energy: -42.069253
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -8.926
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -11.165
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: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -161.267756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.267756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.826188 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.303
local terms energy: -47.347615
where:
bonds (distance) C4'-P energy: -5.356
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -12.308
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: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -192.080994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.080994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.101730 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.020
local terms energy: -58.615485
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -13.037
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: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -192.220910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.220910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.220910 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.048
local terms energy: -62.637606
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -16.661
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: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -187.727866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.727866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935806 (E_RNA)
where:
Base-Base interactions energy: -130.275
where: short stacking energy: -56.601
Base-Backbone interact. energy: -0.080
local terms energy: -57.580770
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -11.270
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: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -183.445057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.445057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.506397 (E_RNA)
where:
Base-Base interactions energy: -128.088
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.009
local terms energy: -55.410200
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -14.685
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: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -183.998370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.998370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.047471 (E_RNA)
where:
Base-Base interactions energy: -132.823
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.068
local terms energy: -51.156288
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -7.836
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -14.382
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: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -171.856097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.856097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.881877 (E_RNA)
where:
Base-Base interactions energy: -118.151
where: short stacking energy: -50.847
Base-Backbone interact. energy: -0.013
local terms energy: -53.718331
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -12.952
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -163.911221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.911221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.030613 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -49.123
Base-Backbone interact. energy: 0.033
local terms energy: -47.469406
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -11.929
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: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -166.258623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.258623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.264650 (E_RNA)
where:
Base-Base interactions energy: -117.532
where: short stacking energy: -39.563
Base-Backbone interact. energy: -0.365
local terms energy: -48.367036
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -9.243
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: 9, replica: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -167.754832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.754832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.816245 (E_RNA)
where:
Base-Base interactions energy: -122.214
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.002
local terms energy: -45.600609
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -0.355
tors. eta vs tors. theta energy: -14.631
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: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -161.270015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.270015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.270015 (E_RNA)
where:
Base-Base interactions energy: -113.710
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.210
local terms energy: -47.350211
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -196.638708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.638708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.638708 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.009
local terms energy: -65.401032
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -18.650
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -195.614514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.614514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.627110 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.008
local terms energy: -65.773331
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -18.429
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: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -182.600891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.663303 (E_RNA)
where:
Base-Base interactions energy: -123.228
where: short stacking energy: -55.045
Base-Backbone interact. energy: -0.008
local terms energy: -59.427843
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -14.494
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: 394
Temperature: 1.050000
Total energy: -174.699928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.699928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.729265 (E_RNA)
where:
Base-Base interactions energy: -122.096
where: short stacking energy: -51.222
Base-Backbone interact. energy: -0.061
local terms energy: -52.572342
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -8.956
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -184.938168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.938168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.965031 (E_RNA)
where:
Base-Base interactions energy: -135.160
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.204
local terms energy: -49.600732
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -11.188
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -175.449615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.449615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.532067 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -52.280
Base-Backbone interact. energy: 0.335
local terms energy: -57.499665
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -13.147
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -175.010069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.010069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.116414 (E_RNA)
where:
Base-Base interactions energy: -117.442
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.052
local terms energy: -57.623231
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -14.624
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: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -170.434762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.434762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.486023 (E_RNA)
where:
Base-Base interactions energy: -115.706
where: short stacking energy: -49.015
Base-Backbone interact. energy: -0.016
local terms energy: -54.763868
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -13.876
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: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -163.057509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.057509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.146509 (E_RNA)
where:
Base-Base interactions energy: -112.986
where: short stacking energy: -50.370
Base-Backbone interact. energy: -0.193
local terms energy: -49.967429
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -10.377
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -162.658985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.860100 (E_RNA)
where:
Base-Base interactions energy: -114.469
where: short stacking energy: -49.041
Base-Backbone interact. energy: -0.025
local terms energy: -48.365270
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -3.315
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -12.262
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: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -198.625146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.625146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.656261 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.005
local terms energy: -62.046260
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -14.415
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: 395
Temperature: 0.950000
Total energy: -184.598092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.598092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.651015 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.001
local terms energy: -58.340606
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -13.986
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: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -191.677655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.677655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755771 (E_RNA)
where:
Base-Base interactions energy: -129.795
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.479
local terms energy: -61.482030
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -16.714
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: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -186.724542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.724542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.983979 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -52.983
Base-Backbone interact. energy: -0.557
local terms energy: -56.027919
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -12.166
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -181.112671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.112671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.214256 (E_RNA)
where:
Base-Base interactions energy: -127.468
where: short stacking energy: -56.947
Base-Backbone interact. energy: -0.072
local terms energy: -53.673392
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -13.621
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -176.019310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.019310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.032571 (E_RNA)
where:
Base-Base interactions energy: -123.184
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.011
local terms energy: -52.837404
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -8.990
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.284
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: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -171.658470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.658470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.678215 (E_RNA)
where:
Base-Base interactions energy: -115.880
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.005
local terms energy: -55.792877
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.020 (S_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: 395
Temperature: 1.250000
Total energy: -169.610990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.610990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.610990 (E_RNA)
where:
Base-Base interactions energy: -115.025
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.011
local terms energy: -54.574334
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -175.839093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019021 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -50.244
Base-Backbone interact. energy: -0.014
local terms energy: -55.542182
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -11.673
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: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -169.470715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.470715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.574356 (E_RNA)
where:
Base-Base interactions energy: -119.394
where: short stacking energy: -46.172
Base-Backbone interact. energy: -0.436
local terms energy: -49.744064
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -11.519
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: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -192.190900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.190900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190900 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.004
local terms energy: -59.522833
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -13.512
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -191.099861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.099861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.208433 (E_RNA)
where:
Base-Base interactions energy: -129.326
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.005
local terms energy: -61.877495
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -16.515
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: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -190.635934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.747960 (E_RNA)
where:
Base-Base interactions energy: -133.045
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.293
local terms energy: -57.410062
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -13.613
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: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -191.291314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.291314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.303225 (E_RNA)
where:
Base-Base interactions energy: -130.999
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.002
local terms energy: -60.301794
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -16.917
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: 396
Temperature: 1.100000
Total energy: -184.770895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.770895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.892186 (E_RNA)
where:
Base-Base interactions energy: -132.255
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.001
local terms energy: -52.636157
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -13.564
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: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -180.034683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.034683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043946 (E_RNA)
where:
Base-Base interactions energy: -127.348
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.000
local terms energy: -52.695336
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -13.948
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: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -172.499311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.499311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.520715 (E_RNA)
where:
Base-Base interactions energy: -116.098
where: short stacking energy: -51.080
Base-Backbone interact. energy: -0.001
local terms energy: -56.422162
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -15.937
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: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -173.165557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.165557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.303458 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.068
local terms energy: -53.623116
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -12.639
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: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -168.233224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.233224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.260169 (E_RNA)
where:
Base-Base interactions energy: -116.644
where: short stacking energy: -45.533
Base-Backbone interact. energy: -0.085
local terms energy: -51.531398
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -10.797
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: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -170.828580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.828580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.900978 (E_RNA)
where:
Base-Base interactions energy: -118.136
where: short stacking energy: -51.840
Base-Backbone interact. energy: -0.518
local terms energy: -52.246119
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -13.439
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: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -186.572011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.572011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.638507 (E_RNA)
where:
Base-Base interactions energy: -123.877
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.003
local terms energy: -62.757991
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -15.805
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: 397
Temperature: 0.950000
Total energy: -191.042702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.042702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.258499 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.384
local terms energy: -65.786885
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -17.494
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: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -194.760447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.772763 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -62.796
Base-Backbone interact. energy: -0.011
local terms energy: -58.621360
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -7.234
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -15.102
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: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -183.612224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.612224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.634725 (E_RNA)
where:
Base-Base interactions energy: -124.884
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.038
local terms energy: -58.713481
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -14.988
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: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -182.733423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.785191 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -61.202
Base-Backbone interact. energy: -0.002
local terms energy: -54.123165
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -14.654
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: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -178.364422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.364422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.366484 (E_RNA)
where:
Base-Base interactions energy: -125.170
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.047
local terms energy: -53.149883
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.002 (S_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: 397
Temperature: 1.200000
Total energy: -170.905370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.905370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.049990 (E_RNA)
where:
Base-Base interactions energy: -114.807
where: short stacking energy: -48.752
Base-Backbone interact. energy: -0.015
local terms energy: -56.227600
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -10.858
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: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -170.974739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.974739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.108239 (E_RNA)
where:
Base-Base interactions energy: -118.654
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.028
local terms energy: -52.426479
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -14.066
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: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -169.110183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.110183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.164212 (E_RNA)
where:
Base-Base interactions energy: -117.660
where: short stacking energy: -53.799
Base-Backbone interact. energy: 0.046
local terms energy: -51.550074
where:
bonds (distance) C4'-P energy: -6.330
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -15.560
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: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -166.798568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.827019 (E_RNA)
where:
Base-Base interactions energy: -118.228
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.003
local terms energy: -48.595870
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -5.853
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -15.790
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -188.845122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.845122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.903340 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -56.791
Base-Backbone interact. energy: -0.003
local terms energy: -60.415475
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -14.333
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: 398
Temperature: 0.950000
Total energy: -187.034461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.034461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.093588 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.093
local terms energy: -60.383436
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.343
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: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -187.324384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.324384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.335837 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.041
local terms energy: -57.975616
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -15.242
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: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -186.958964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.958964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.971934 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.017
local terms energy: -55.701993
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -15.272
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -178.800950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.800950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.868996 (E_RNA)
where:
Base-Base interactions energy: -123.418
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.001
local terms energy: -55.450255
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -6.032
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -16.579
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: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -190.217962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.217962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.234524 (E_RNA)
where:
Base-Base interactions energy: -125.151
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.013
local terms energy: -65.070234
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -16.596
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: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -170.362105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.362105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.435189 (E_RNA)
where:
Base-Base interactions energy: -115.851
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.012
local terms energy: -54.571834
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -13.410
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: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -175.721746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.756565 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.386
local terms energy: -50.432433
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -12.585
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -155.565673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.565673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.572737 (E_RNA)
where:
Base-Base interactions energy: -109.659
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.002
local terms energy: -45.911571
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -4.365
tors. eta vs tors. theta energy: -6.683
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -172.023745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.208395 (E_RNA)
where:
Base-Base interactions energy: -121.009
where: short stacking energy: -55.150
Base-Backbone interact. energy: -1.040
local terms energy: -50.158719
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -12.196
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -190.465994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.465994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.543147 (E_RNA)
where:
Base-Base interactions energy: -128.914
where: short stacking energy: -59.373
Base-Backbone interact. energy: 0.935
local terms energy: -62.564252
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -13.079
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -192.866325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.866325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905037 (E_RNA)
where:
Base-Base interactions energy: -133.338
where: short stacking energy: -62.284
Base-Backbone interact. energy: 0.201
local terms energy: -59.767963
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -15.430
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: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -193.521151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.521151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.576694 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.001
local terms energy: -57.686063
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -15.789
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -180.050451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.050451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.059334 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.001
local terms energy: -58.420138
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -14.954
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: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -175.460130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.460130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.460130 (E_RNA)
where:
Base-Base interactions energy: -117.347
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.003
local terms energy: -58.110767
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -181.936933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.936933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.948082 (E_RNA)
where:
Base-Base interactions energy: -126.235
where: short stacking energy: -60.929
Base-Backbone interact. energy: -0.415
local terms energy: -55.298345
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -16.553
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -173.411297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.411297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.411297 (E_RNA)
where:
Base-Base interactions energy: -125.518
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.304
local terms energy: -47.589395
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -172.287745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.299628 (E_RNA)
where:
Base-Base interactions energy: -123.695
where: short stacking energy: -57.173
Base-Backbone interact. energy: -0.000
local terms energy: -48.604665
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -7.123
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -12.224
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: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -169.388809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.388809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.635846 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.029
local terms energy: -49.556148
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -11.737
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: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -154.528417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.667719 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.056
local terms energy: -47.152358
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -9.658
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -190.112144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.112144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.340892 (E_RNA)
where:
Base-Base interactions energy: -130.906
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.002
local terms energy: -59.433033
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -16.721
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -191.903624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.903624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.924459 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -60.164
Base-Backbone interact. energy: 0.826
local terms energy: -63.479327
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -16.767
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: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -188.622920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.622920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.629378 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.001
local terms energy: -57.567914
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -16.179
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: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -184.313637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.313637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.350548 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -56.431
Base-Backbone interact. energy: 1.495
local terms energy: -58.268670
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -16.907
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -184.415042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.415042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.428739 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.002
local terms energy: -57.738682
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -15.811
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: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -169.742552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.742552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.950409 (E_RNA)
where:
Base-Base interactions energy: -119.232
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.003
local terms energy: -50.715086
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -1.825
tors. eta vs tors. theta energy: -13.455
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: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -168.045953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.045953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.045953 (E_RNA)
where:
Base-Base interactions energy: -118.241
where: short stacking energy: -55.079
Base-Backbone interact. energy: -0.001
local terms energy: -49.803921
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -179.014902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.014902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.025858 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.013
local terms energy: -55.201673
where:
bonds (distance) C4'-P energy: -5.476
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -17.133
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: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -168.784982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.784982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.812081 (E_RNA)
where:
Base-Base interactions energy: -114.629
where: short stacking energy: -52.292
Base-Backbone interact. energy: -0.073
local terms energy: -54.109693
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -14.117
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: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -172.519258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.519258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.596717 (E_RNA)
where:
Base-Base interactions energy: -122.594
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.001
local terms energy: -50.001905
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -7.083
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -11.613
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: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -188.529673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.529673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.660886 (E_RNA)
where:
Base-Base interactions energy: -132.580
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.006
local terms energy: -56.075022
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -12.149
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -188.237036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.237036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.243062 (E_RNA)
where:
Base-Base interactions energy: -128.731
where: short stacking energy: -53.057
Base-Backbone interact. energy: -0.636
local terms energy: -58.876679
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -12.902
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: 401
Temperature: 1.000000
Total energy: -185.815358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.815358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.857852 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -56.202
Base-Backbone interact. energy: -0.066
local terms energy: -60.031928
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -12.819
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -183.495913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.495913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.495913 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.005
local terms energy: -56.816336
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -185.674725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.674725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807271 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.039
local terms energy: -60.826668
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.697
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: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -183.499429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.499429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.640142 (E_RNA)
where:
Base-Base interactions energy: -125.303
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.326
local terms energy: -58.011144
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -15.656
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: 401
Temperature: 1.200000
Total energy: -168.545855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.545855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.559269 (E_RNA)
where:
Base-Base interactions energy: -119.180
where: short stacking energy: -48.536
Base-Backbone interact. energy: -0.004
local terms energy: -49.374394
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -9.162
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -10.863
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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -171.788986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.788986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.836908 (E_RNA)
where:
Base-Base interactions energy: -114.412
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.116
local terms energy: -57.308145
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -14.558
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: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -171.849323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.849323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.893571 (E_RNA)
where:
Base-Base interactions energy: -126.283
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.013
local terms energy: -45.597206
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -13.519
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: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -156.332018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.332018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.335335 (E_RNA)
where:
Base-Base interactions energy: -107.201
where: short stacking energy: -41.209
Base-Backbone interact. energy: -0.026
local terms energy: -49.108154
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -6.034
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: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -190.920418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.920418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.962447 (E_RNA)
where:
Base-Base interactions energy: -127.126
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.004
local terms energy: -63.832720
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -14.088
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: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -184.731785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.731785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770485 (E_RNA)
where:
Base-Base interactions energy: -125.970
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.041
local terms energy: -58.760374
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -14.567
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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -190.848487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.848487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.857154 (E_RNA)
where:
Base-Base interactions energy: -134.280
where: short stacking energy: -55.115
Base-Backbone interact. energy: -0.042
local terms energy: -56.535033
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -11.491
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: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -186.610802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.610802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.679327 (E_RNA)
where:
Base-Base interactions energy: -130.735
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.233
local terms energy: -55.711474
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -6.375
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -15.274
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: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -175.225574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.225574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.364389 (E_RNA)
where:
Base-Base interactions energy: -126.270
where: short stacking energy: -57.881
Base-Backbone interact. energy: -0.012
local terms energy: -49.082536
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -11.538
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -180.855822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.855822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.890121 (E_RNA)
where:
Base-Base interactions energy: -123.499
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.001
local terms energy: -57.389301
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -15.242
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: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -161.513748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.513748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.541258 (E_RNA)
where:
Base-Base interactions energy: -112.985
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.002
local terms energy: -48.554074
where:
bonds (distance) C4'-P energy: -6.388
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -10.543
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: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -165.296406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.296406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.499403 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -49.554
Base-Backbone interact. energy: 0.283
local terms energy: -49.212305
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -8.471
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: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -164.624157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.624157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.627615 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -51.235
Base-Backbone interact. energy: -0.240
local terms energy: -48.491142
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -12.720
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: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -168.897714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.897714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.920134 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -52.872
Base-Backbone interact. energy: -0.000
local terms energy: -48.314255
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -12.557
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: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -187.291927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.291927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.431644 (E_RNA)
where:
Base-Base interactions energy: -129.250
where: short stacking energy: -60.963
Base-Backbone interact. energy: 1.645
local terms energy: -59.826833
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -17.279
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: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -191.448149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.456624 (E_RNA)
where:
Base-Base interactions energy: -128.427
where: short stacking energy: -58.839
Base-Backbone interact. energy: -0.006
local terms energy: -63.023779
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -15.115
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: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -188.755807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.772693 (E_RNA)
where:
Base-Base interactions energy: -127.028
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.020
local terms energy: -61.725210
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -14.794
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: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -184.869029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.869029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.898568 (E_RNA)
where:
Base-Base interactions energy: -127.801
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.000
local terms energy: -57.096937
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -16.397
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -181.090348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.090348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.094405 (E_RNA)
where:
Base-Base interactions energy: -130.954
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.000
local terms energy: -50.139774
where:
bonds (distance) C4'-P energy: -5.158
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -10.124
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: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -180.641428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.641428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819464 (E_RNA)
where:
Base-Base interactions energy: -123.217
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.058
local terms energy: -57.544523
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.247
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: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -170.515287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.515287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.580594 (E_RNA)
where:
Base-Base interactions energy: -119.850
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.001
local terms energy: -50.729203
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -10.124
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -9.784
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: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -166.174488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.174488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.265125 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -50.759
Base-Backbone interact. energy: 0.608
local terms energy: -51.392684
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -10.575
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: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -154.901250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.901250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.963913 (E_RNA)
where:
Base-Base interactions energy: -109.334
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.032
local terms energy: -45.597240
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -8.924
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: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -159.349685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.349685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.467265 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -48.292
Base-Backbone interact. energy: -0.009
local terms energy: -45.500327
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -10.265
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: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -193.565091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.600713 (E_RNA)
where:
Base-Base interactions energy: -132.443
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.015
local terms energy: -61.142456
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -17.094
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: 404
Temperature: 0.950000
Total energy: -191.368623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.368623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.368623 (E_RNA)
where:
Base-Base interactions energy: -136.393
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.002
local terms energy: -54.974049
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -14.908
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -190.961682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.961682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.961682 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.019
local terms energy: -62.958629
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -15.422
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: 404
Temperature: 1.050000
Total energy: -193.022221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.022221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.031413 (E_RNA)
where:
Base-Base interactions energy: -133.117
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.002
local terms energy: -59.912269
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -13.551
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: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -183.840176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.840176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.861006 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.135
local terms energy: -55.479187
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -15.224
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -175.548035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.548035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.681623 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.281
local terms energy: -47.656373
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -5.834
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -13.963
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: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -177.534290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.534290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.534290 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.017
local terms energy: -55.424742
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -170.655526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.655526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.693060 (E_RNA)
where:
Base-Base interactions energy: -112.561
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.000
local terms energy: -58.131650
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -14.107
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -151.402864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.402864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.538745 (E_RNA)
where:
Base-Base interactions energy: -108.829
where: short stacking energy: -39.968
Base-Backbone interact. energy: -0.087
local terms energy: -42.622066
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -6.634
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: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -151.890468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.890468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.980730 (E_RNA)
where:
Base-Base interactions energy: -105.705
where: short stacking energy: -42.768
Base-Backbone interact. energy: -0.244
local terms energy: -46.031646
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -8.102
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: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -186.259782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259782 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.001
local terms energy: -55.892886
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -13.826
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: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -191.666257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.666257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.778363 (E_RNA)
where:
Base-Base interactions energy: -124.880
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.045
local terms energy: -66.853348
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.233
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: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -194.640497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.640497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645689 (E_RNA)
where:
Base-Base interactions energy: -130.488
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.042
local terms energy: -64.115975
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -16.930
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: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -186.488325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.488325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.505800 (E_RNA)
where:
Base-Base interactions energy: -127.793
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.081
local terms energy: -58.631492
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -14.514
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: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -183.617179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.617179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.687557 (E_RNA)
where:
Base-Base interactions energy: -129.878
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.002
local terms energy: -53.808198
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -11.583
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: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -182.361437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.361437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.373556 (E_RNA)
where:
Base-Base interactions energy: -124.447
where: short stacking energy: -52.236
Base-Backbone interact. energy: -0.010
local terms energy: -57.916754
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -14.579
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: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -166.505138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.505138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.681692 (E_RNA)
where:
Base-Base interactions energy: -111.807
where: short stacking energy: -48.603
Base-Backbone interact. energy: -0.150
local terms energy: -54.725436
where:
bonds (distance) C4'-P energy: -7.736
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -11.978
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: 405
Temperature: 1.250000
Total energy: -184.509971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.509971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.648347 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.000
local terms energy: -55.501242
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -14.607
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: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -166.929515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.929515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936756 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -42.774
Base-Backbone interact. energy: 0.448
local terms energy: -45.847433
where:
bonds (distance) C4'-P energy: -6.454
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -13.102
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: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -165.446537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.446537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.466446 (E_RNA)
where:
Base-Base interactions energy: -114.440
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.191
local terms energy: -50.835593
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -192.990221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.990221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.184945 (E_RNA)
where:
Base-Base interactions energy: -127.795
where: short stacking energy: -61.340
Base-Backbone interact. energy: -0.002
local terms energy: -65.388441
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -16.541
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: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -194.585233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.585233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.585233 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.242
local terms energy: -65.287344
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -16.889
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: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -188.953806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.953806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.056823 (E_RNA)
where:
Base-Base interactions energy: -129.619
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.020
local terms energy: -59.418053
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -13.722
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -179.637769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.637769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.887399 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.003
local terms energy: -56.109639
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -17.259
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -183.672103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.713349 (E_RNA)
where:
Base-Base interactions energy: -134.508
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.008
local terms energy: -49.197151
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -12.950
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: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -178.157443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.157443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.293757 (E_RNA)
where:
Base-Base interactions energy: -125.555
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.037
local terms energy: -52.702101
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -15.040
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: 406
Temperature: 1.200000
Total energy: -176.970206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.970206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.970206 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -55.565
Base-Backbone interact. energy: 0.248
local terms energy: -52.487644
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -164.812038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.812038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.010571 (E_RNA)
where:
Base-Base interactions energy: -110.475
where: short stacking energy: -47.219
Base-Backbone interact. energy: 1.160
local terms energy: -55.695022
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -11.258
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -171.347702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.347702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.455535 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -48.229
Base-Backbone interact. energy: -0.001
local terms energy: -54.427382
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -13.820
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: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -159.049432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.049432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.208340 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.120
local terms energy: -46.222875
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -10.365
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: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -196.070440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.070440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.070440 (E_RNA)
where:
Base-Base interactions energy: -131.460
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.041
local terms energy: -64.569483
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -15.871
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -190.909539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.909539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.933079 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.000
local terms energy: -61.164936
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -17.588
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: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -189.829744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829744 (E_RNA)
where:
Base-Base interactions energy: -131.012
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.083
local terms energy: -58.734657
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -14.455
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: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -178.725945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.725945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.731583 (E_RNA)
where:
Base-Base interactions energy: -121.642
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.006
local terms energy: -57.083475
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.877
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: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -180.469677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.469677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.543086 (E_RNA)
where:
Base-Base interactions energy: -122.513
where: short stacking energy: -48.027
Base-Backbone interact. energy: -0.001
local terms energy: -58.028819
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -16.375
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: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -179.322381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.322381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.381145 (E_RNA)
where:
Base-Base interactions energy: -126.656
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.002
local terms energy: -52.723102
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -11.924
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: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -173.230618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.230618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.230791 (E_RNA)
where:
Base-Base interactions energy: -119.717
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.093
local terms energy: -53.420607
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -6.903
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -167.710887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.710887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.784134 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.124
local terms energy: -51.939451
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -9.867
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: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -161.329204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.329204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.539917 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -56.894
Base-Backbone interact. energy: -0.420
local terms energy: -41.679926
where:
bonds (distance) C4'-P energy: -3.079
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -13.076
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: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -160.386607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.386607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.550461 (E_RNA)
where:
Base-Base interactions energy: -113.527
where: short stacking energy: -44.049
Base-Backbone interact. energy: -0.167
local terms energy: -46.856341
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -10.668
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: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -194.131494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.131494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.131494 (E_RNA)
where:
Base-Base interactions energy: -134.827
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.004
local terms energy: -59.301335
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -16.361
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: 408
Temperature: 0.950000
Total energy: -195.119339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.119339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.119339 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.003
local terms energy: -64.276592
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -18.341
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: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -182.124131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.249439 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -60.677
Base-Backbone interact. energy: -0.001
local terms energy: -53.329109
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -9.603
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -14.525
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -181.295168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295168 (E_RNA)
where:
Base-Base interactions energy: -126.716
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.299
local terms energy: -54.279873
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.309
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: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.162798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.162798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.176601 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -53.898
Base-Backbone interact. energy: -0.011
local terms energy: -52.821300
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -11.978
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -180.879399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.879399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.934329 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.049
local terms energy: -58.513241
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -14.681
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -168.567969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.975713 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.013
local terms energy: -51.576932
where:
bonds (distance) C4'-P energy: -7.348
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -15.664
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: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -162.783238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.783238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.036629 (E_RNA)
where:
Base-Base interactions energy: -110.550
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.296
local terms energy: -52.191165
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -12.251
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: 408
Temperature: 1.300000
Total energy: -170.809886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.809886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.809886 (E_RNA)
where:
Base-Base interactions energy: -111.138
where: short stacking energy: -46.034
Base-Backbone interact. energy: -0.069
local terms energy: -59.602813
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -169.570867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.570867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.822636 (E_RNA)
where:
Base-Base interactions energy: -116.228
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.053
local terms energy: -53.542192
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -14.030
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: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -193.524706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.524706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.524706 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.078
local terms energy: -64.339159
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -17.637
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: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -185.355768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.355768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.464099 (E_RNA)
where:
Base-Base interactions energy: -128.331
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.004
local terms energy: -57.128994
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -13.285
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -190.880715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.880715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.922656 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.012
local terms energy: -56.368268
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -17.173
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: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -178.610226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.610226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.645127 (E_RNA)
where:
Base-Base interactions energy: -123.191
where: short stacking energy: -54.860
Base-Backbone interact. energy: -1.434
local terms energy: -54.019828
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -14.311
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: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -178.332273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.332273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.364249 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.008
local terms energy: -57.597141
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -13.996
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: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -183.806947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.806947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.806947 (E_RNA)
where:
Base-Base interactions energy: -121.232
where: short stacking energy: -56.108
Base-Backbone interact. energy: 0.149
local terms energy: -62.724373
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -15.220
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: 409
Temperature: 1.200000
Total energy: -172.851796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.851796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.021940 (E_RNA)
where:
Base-Base interactions energy: -116.233
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.004
local terms energy: -56.784777
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -11.909
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: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -178.257547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.257547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.305410 (E_RNA)
where:
Base-Base interactions energy: -126.325
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.001
local terms energy: -51.979684
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -15.200
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: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -163.525336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.525336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.604522 (E_RNA)
where:
Base-Base interactions energy: -109.608
where: short stacking energy: -44.282
Base-Backbone interact. energy: -0.033
local terms energy: -53.963752
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -11.447
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: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -173.477168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.477168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.543008 (E_RNA)
where:
Base-Base interactions energy: -121.342
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.004
local terms energy: -52.196773
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -11.843
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: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -188.376724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.376724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.428088 (E_RNA)
where:
Base-Base interactions energy: -133.313
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.020
local terms energy: -55.094598
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -12.414
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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -192.542513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.542513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.543579 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.007
local terms energy: -63.730435
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -15.233
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: 410
Temperature: 1.000000
Total energy: -183.844571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.844571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.847558 (E_RNA)
where:
Base-Base interactions energy: -126.282
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.080
local terms energy: -57.485932
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -12.671
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: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -184.018897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.018897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.018897 (E_RNA)
where:
Base-Base interactions energy: -124.354
where: short stacking energy: -52.404
Base-Backbone interact. energy: 0.223
local terms energy: -59.888343
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -13.608
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: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -177.982505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.982505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.004170 (E_RNA)
where:
Base-Base interactions energy: -123.619
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.001
local terms energy: -54.383702
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -11.048
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: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -170.034761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.034761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.322250 (E_RNA)
where:
Base-Base interactions energy: -122.464
where: short stacking energy: -41.817
Base-Backbone interact. energy: -1.407
local terms energy: -46.451473
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -8.288
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: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -182.184582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.184582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.241978 (E_RNA)
where:
Base-Base interactions energy: -125.251
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.001
local terms energy: -56.990529
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -14.888
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: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -167.604884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.604884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864733 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -45.583
Base-Backbone interact. energy: -0.009
local terms energy: -45.407887
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -8.412
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -163.507265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.507265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.539009 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.004
local terms energy: -48.064957
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -7.424
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -10.328
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: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -160.348264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.348264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.454400 (E_RNA)
where:
Base-Base interactions energy: -112.573
where: short stacking energy: -46.785
Base-Backbone interact. energy: -0.101
local terms energy: -47.780992
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -12.049
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: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -194.365377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.365377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.365377 (E_RNA)
where:
Base-Base interactions energy: -131.998
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.073
local terms energy: -62.293914
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -14.947
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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -191.613260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.613260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.723008 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.046
local terms energy: -62.097365
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -12.783
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: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -186.323706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.323706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.461313 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.002
local terms energy: -55.910403
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -16.173
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: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -182.595896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624952 (E_RNA)
where:
Base-Base interactions energy: -127.266
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.009
local terms energy: -55.349414
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -13.545
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: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -179.723302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.723302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.825620 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -55.161
Base-Backbone interact. energy: 0.662
local terms energy: -55.591183
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -13.314
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: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -181.110578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.110578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.118855 (E_RNA)
where:
Base-Base interactions energy: -126.070
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.010
local terms energy: -55.038798
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -13.661
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: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -174.442899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.442899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.572974 (E_RNA)
where:
Base-Base interactions energy: -127.741
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.004
local terms energy: -46.827910
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -5.227
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -16.291
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: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -172.923921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.218833 (E_RNA)
where:
Base-Base interactions energy: -124.662
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.024
local terms energy: -48.533161
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -13.901
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: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -162.663280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.663280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.685193 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -49.310
Base-Backbone interact. energy: -0.048
local terms energy: -47.779273
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -5.776
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -13.237
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: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -171.580133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.580133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.601305 (E_RNA)
where:
Base-Base interactions energy: -117.264
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.008
local terms energy: -54.329394
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -11.008
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -195.128367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.128367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.128367 (E_RNA)
where:
Base-Base interactions energy: -131.335
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.008
local terms energy: -63.785200
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -15.426
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: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -192.503786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.503786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.629613 (E_RNA)
where:
Base-Base interactions energy: -132.256
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.015
local terms energy: -60.358528
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -15.539
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: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -183.018243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.018243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.018243 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.001
local terms energy: -53.348362
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -16.282
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: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -180.929006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.929006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.970934 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.486
local terms energy: -54.167367
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -14.162
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: 412
Temperature: 1.100000
Total energy: -183.645676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.695166 (E_RNA)
where:
Base-Base interactions energy: -123.337
where: short stacking energy: -53.216
Base-Backbone interact. energy: -0.082
local terms energy: -60.277031
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.056
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: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -178.314357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.314357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.679576 (E_RNA)
where:
Base-Base interactions energy: -124.479
where: short stacking energy: -56.521
Base-Backbone interact. energy: -0.005
local terms energy: -54.195108
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.376
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -171.671829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671829 (E_RNA)
where:
Base-Base interactions energy: -120.363
where: short stacking energy: -45.073
Base-Backbone interact. energy: -0.147
local terms energy: -51.161631
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -166.384461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.384461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.403001 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.517
local terms energy: -49.403916
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -12.853
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: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -163.780019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.867191 (E_RNA)
where:
Base-Base interactions energy: -112.506
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.066
local terms energy: -51.294428
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -7.000
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -12.421
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: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -164.318646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.318646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.331717 (E_RNA)
where:
Base-Base interactions energy: -118.975
where: short stacking energy: -50.241
Base-Backbone interact. energy: -0.003
local terms energy: -45.353342
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -10.896
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: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -200.013805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.013805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.013805 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.241
local terms energy: -62.181528
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -15.897
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: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -195.807635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.807635 (E_RNA)
where:
Base-Base interactions energy: -130.314
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.017
local terms energy: -65.477128
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -15.050
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: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -198.702054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.702054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.728742 (E_RNA)
where:
Base-Base interactions energy: -135.599
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.018
local terms energy: -63.111383
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -17.779
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -176.998155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.035186 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -46.155
Base-Backbone interact. energy: 0.043
local terms energy: -59.796687
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -12.399
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: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -188.601348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.601348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.678462 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.040
local terms energy: -58.869832
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -17.901
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: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -162.433505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.506132 (E_RNA)
where:
Base-Base interactions energy: -114.498
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.072
local terms energy: -47.935918
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -7.986
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: 413
Temperature: 1.200000
Total energy: -169.699008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.699008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.707436 (E_RNA)
where:
Base-Base interactions energy: -119.011
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.104
local terms energy: -50.592961
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -10.682
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: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -172.957571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.957571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155798 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.347
local terms energy: -48.455877
where:
bonds (distance) C4'-P energy: -5.311
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -16.527
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -168.212844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.212844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.464172 (E_RNA)
where:
Base-Base interactions energy: -112.012
where: short stacking energy: -49.878
Base-Backbone interact. energy: -0.469
local terms energy: -55.982229
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -11.539
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: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -164.595792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.595792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.696361 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.058
local terms energy: -53.008365
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -10.534
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: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -191.395559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.395559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.395559 (E_RNA)
where:
Base-Base interactions energy: -126.342
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.009
local terms energy: -65.043975
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -17.758
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: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -192.388844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.388844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.448367 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -62.445
Base-Backbone interact. energy: -0.165
local terms energy: -61.517086
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -16.032
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -191.760140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.760140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.838502 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.143
local terms energy: -54.610864
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -16.579
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -185.626134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.626134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.742553 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.008
local terms energy: -59.983790
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -15.962
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: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -173.061179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.061179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.368705 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -50.392
Base-Backbone interact. energy: -0.290
local terms energy: -59.207963
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -15.929
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: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -181.792592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.792592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.041609 (E_RNA)
where:
Base-Base interactions energy: -122.889
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.000
local terms energy: -59.151955
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -15.738
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: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -175.769247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.769247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916550 (E_RNA)
where:
Base-Base interactions energy: -121.539
where: short stacking energy: -55.676
Base-Backbone interact. energy: -0.004
local terms energy: -54.373873
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -13.048
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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -174.886085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.886085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.137574 (E_RNA)
where:
Base-Base interactions energy: -116.056
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.005
local terms energy: -59.076397
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -13.628
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: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -170.464887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.464887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.686273 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.148
local terms energy: -47.734960
where:
bonds (distance) C4'-P energy: -6.385
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -10.465
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: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -162.431371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.431371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.431371 (E_RNA)
where:
Base-Base interactions energy: -114.940
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.000
local terms energy: -47.491106
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -193.833201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.833201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.901635 (E_RNA)
where:
Base-Base interactions energy: -131.420
where: short stacking energy: -59.476
Base-Backbone interact. energy: -0.134
local terms energy: -62.348204
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -16.588
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: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -189.187022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.187022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.210616 (E_RNA)
where:
Base-Base interactions energy: -129.904
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.446
local terms energy: -58.859799
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -14.309
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: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -184.286506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.586563 (E_RNA)
where:
Base-Base interactions energy: -124.565
where: short stacking energy: -59.638
Base-Backbone interact. energy: -0.575
local terms energy: -59.446577
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -16.018
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -183.231631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.231631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.231631 (E_RNA)
where:
Base-Base interactions energy: -127.282
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.006
local terms energy: -55.942886
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -14.305
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: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -187.229381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.229381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.229381 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.566
local terms energy: -60.961893
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -177.997194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.997194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.080387 (E_RNA)
where:
Base-Base interactions energy: -119.718
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.000
local terms energy: -58.362473
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -14.349
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: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -184.022980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.022980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.046539 (E_RNA)
where:
Base-Base interactions energy: -128.362
where: short stacking energy: -57.736
Base-Backbone interact. energy: -0.001
local terms energy: -55.684175
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -16.440
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: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -174.986753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.986753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.000629 (E_RNA)
where:
Base-Base interactions energy: -123.341
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.194
local terms energy: -51.465621
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -11.214
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: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -162.815974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.815974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.871834 (E_RNA)
where:
Base-Base interactions energy: -120.757
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.006
local terms energy: -42.109292
where:
bonds (distance) C4'-P energy: -0.179
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -13.714
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: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -158.935269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.935269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.672557 (E_RNA)
where:
Base-Base interactions energy: -106.022
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.131
local terms energy: -53.519140
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -11.929
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: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -195.325824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.325824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.354667 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.210
local terms energy: -58.618434
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -12.462
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: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -189.867385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.867385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.870778 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.001
local terms energy: -60.331361
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -16.607
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: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -188.473347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.473347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.577572 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -58.109
Base-Backbone interact. energy: -0.007
local terms energy: -60.330155
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -15.166
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: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -188.372846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.372846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.382288 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -60.694
Base-Backbone interact. energy: -0.045
local terms energy: -55.463661
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -12.230
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: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -186.655365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.655365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.655365 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.001
local terms energy: -57.043398
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -174.095485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.095485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.096156 (E_RNA)
where:
Base-Base interactions energy: -120.367
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.409
local terms energy: -53.320157
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -8.538
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: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -178.060008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.060008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185778 (E_RNA)
where:
Base-Base interactions energy: -126.091
where: short stacking energy: -58.922
Base-Backbone interact. energy: 0.132
local terms energy: -52.227198
where:
bonds (distance) C4'-P energy: -5.949
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -15.575
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: 416
Temperature: 1.250000
Total energy: -170.146580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.146580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.146580 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.001
local terms energy: -48.412753
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -8.195
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -183.705818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.705818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.727448 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.001
local terms energy: -63.214848
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -17.044
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: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -165.613856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.852861 (E_RNA)
where:
Base-Base interactions energy: -121.016
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.000
local terms energy: -44.836273
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -6.827
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -13.397
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: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -194.192066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.192066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.398812 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.101
local terms energy: -58.293487
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -10.935
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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -188.636390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.636390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.731250 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.000
local terms energy: -60.158484
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -17.042
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: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -191.812229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.812229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.927571 (E_RNA)
where:
Base-Base interactions energy: -128.098
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.381
local terms energy: -63.449001
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -15.948
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: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -181.187380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187380 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.288
local terms energy: -54.275563
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -13.260
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: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -187.351171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.351171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.378543 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.036
local terms energy: -58.238240
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -14.656
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: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -165.286393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.286393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.312986 (E_RNA)
where:
Base-Base interactions energy: -110.783
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.004
local terms energy: -54.526002
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -11.458
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: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -184.724196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.757282 (E_RNA)
where:
Base-Base interactions energy: -126.661
where: short stacking energy: -55.339
Base-Backbone interact. energy: -0.042
local terms energy: -58.054334
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -14.998
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: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -168.213364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.213364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.221701 (E_RNA)
where:
Base-Base interactions energy: -113.663
where: short stacking energy: -47.596
Base-Backbone interact. energy: -0.156
local terms energy: -54.402112
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -11.147
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: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -167.796588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.796588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.084473 (E_RNA)
where:
Base-Base interactions energy: -119.628
where: short stacking energy: -54.656
Base-Backbone interact. energy: -0.020
local terms energy: -48.436427
where:
bonds (distance) C4'-P energy: -6.765
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -13.802
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: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -168.307472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.340484 (E_RNA)
where:
Base-Base interactions energy: -124.318
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.071
local terms energy: -43.951295
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -4.950
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.678
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: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -194.670145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.670145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.768272 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.084
local terms energy: -56.952255
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -11.596
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -191.049051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.049051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.049051 (E_RNA)
where:
Base-Base interactions energy: -132.159
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.002
local terms energy: -58.888508
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.061
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: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -193.232501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.273268 (E_RNA)
where:
Base-Base interactions energy: -133.029
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.000
local terms energy: -60.244181
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -14.768
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: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -182.789930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.789930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.323862 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.000
local terms energy: -59.463129
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -2.742
tors. eta vs tors. theta energy: -17.838
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: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -183.858462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.858462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.899346 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.070
local terms energy: -57.146747
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -14.764
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: 418
Temperature: 1.150000
Total energy: -174.457528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.457528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.489615 (E_RNA)
where:
Base-Base interactions energy: -122.927
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.090
local terms energy: -51.472864
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -12.451
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: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -175.660235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.660235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.771591 (E_RNA)
where:
Base-Base interactions energy: -120.994
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.809
local terms energy: -53.968543
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -7.704
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -13.199
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: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -179.344782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.344782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.552454 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.044
local terms energy: -55.737209
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -14.979
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: 418
Temperature: 1.300000
Total energy: -161.364058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.494249 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -46.708
Base-Backbone interact. energy: -0.025
local terms energy: -44.652118
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -8.761
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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -167.128060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.128060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.199068 (E_RNA)
where:
Base-Base interactions energy: -119.400
where: short stacking energy: -52.700
Base-Backbone interact. energy: 0.803
local terms energy: -48.602862
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -14.124
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: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -193.863169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.863169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.945119 (E_RNA)
where:
Base-Base interactions energy: -131.674
where: short stacking energy: -54.242
Base-Backbone interact. energy: -1.551
local terms energy: -60.719816
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -15.378
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: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -192.677308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.677308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.677890 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.000
local terms energy: -61.032637
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -16.220
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -189.155509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.155509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.231073 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.070
local terms energy: -58.217083
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -13.655
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: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -181.140580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.192334 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.000
local terms energy: -53.381397
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.738
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: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -180.804816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.804816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.840971 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.011
local terms energy: -56.057020
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -11.558
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -176.692730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.692730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.692730 (E_RNA)
where:
Base-Base interactions energy: -127.834
where: short stacking energy: -48.797
Base-Backbone interact. energy: -0.576
local terms energy: -48.283248
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -9.491
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -171.475741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.475741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.507146 (E_RNA)
where:
Base-Base interactions energy: -122.953
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.000
local terms energy: -48.554018
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -16.075
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: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -175.374879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.374879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.374879 (E_RNA)
where:
Base-Base interactions energy: -124.522
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.001
local terms energy: -50.852270
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -7.715
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -170.907060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.907060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.923673 (E_RNA)
where:
Base-Base interactions energy: -113.964
where: short stacking energy: -48.604
Base-Backbone interact. energy: -0.162
local terms energy: -56.796816
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.256
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: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -156.829997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.829997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.901035 (E_RNA)
where:
Base-Base interactions energy: -115.925
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.046
local terms energy: -40.929908
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -7.176
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -10.312
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: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -193.136266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.136266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.140702 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.018
local terms energy: -64.003804
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -16.987
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: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -189.073495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.073495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.123598 (E_RNA)
where:
Base-Base interactions energy: -133.216
where: short stacking energy: -53.783
Base-Backbone interact. energy: 0.284
local terms energy: -56.190777
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -13.815
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -192.489751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.489751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.538718 (E_RNA)
where:
Base-Base interactions energy: -130.588
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.542
local terms energy: -61.408349
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -11.834
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: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -184.584373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.584373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.619183 (E_RNA)
where:
Base-Base interactions energy: -126.719
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.000
local terms energy: -57.899970
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -14.865
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: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -174.979595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.979595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.014115 (E_RNA)
where:
Base-Base interactions energy: -120.349
where: short stacking energy: -50.905
Base-Backbone interact. energy: -0.113
local terms energy: -54.552202
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -10.711
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: 420
Temperature: 1.150000
Total energy: -170.792833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.792833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.867409 (E_RNA)
where:
Base-Base interactions energy: -115.324
where: short stacking energy: -50.770
Base-Backbone interact. energy: -0.068
local terms energy: -55.475448
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -7.721
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -12.758
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -172.343761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.343761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.465372 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.038
local terms energy: -58.285129
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -11.038
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: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -169.869408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.869408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.917384 (E_RNA)
where:
Base-Base interactions energy: -121.815
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.211
local terms energy: -47.891060
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -6.207
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.516
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: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -162.221036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.221036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.340182 (E_RNA)
where:
Base-Base interactions energy: -104.506
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.331
local terms energy: -57.502623
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -9.101
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: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -169.547159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.547159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.716641 (E_RNA)
where:
Base-Base interactions energy: -117.839
where: short stacking energy: -53.224
Base-Backbone interact. energy: -0.113
local terms energy: -51.764537
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -12.303
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: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -201.620772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.620772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.620772 (E_RNA)
where:
Base-Base interactions energy: -136.160
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.316
local terms energy: -65.145041
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -17.434
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: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -189.625911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.625911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.639744 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.002
local terms energy: -61.860232
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -12.833
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -184.862712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.862712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862712 (E_RNA)
where:
Base-Base interactions energy: -127.710
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.425
local terms energy: -56.727801
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -14.195
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: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -179.921504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.921504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.012654 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.074
local terms energy: -55.035229
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -12.152
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: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -181.961188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.961188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.143935 (E_RNA)
where:
Base-Base interactions energy: -120.991
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.012
local terms energy: -61.140423
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -14.967
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: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -173.243556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.243556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336291 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.058
local terms energy: -49.429849
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -12.603
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: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -177.734759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739144 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.004
local terms energy: -54.746050
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -10.959
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: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -172.517827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.517827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.519099 (E_RNA)
where:
Base-Base interactions energy: -118.089
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.002
local terms energy: -54.428354
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -15.370
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: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -170.748485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.748485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.288935 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.860
local terms energy: -53.373580
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -14.388
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: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -164.201594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.201594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.212093 (E_RNA)
where:
Base-Base interactions energy: -114.664
where: short stacking energy: -46.609
Base-Backbone interact. energy: -0.004
local terms energy: -49.543919
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -12.051
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: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -191.934499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.934499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.934499 (E_RNA)
where:
Base-Base interactions energy: -131.230
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.005
local terms energy: -60.699792
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -14.119
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -189.836917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.836917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.887883 (E_RNA)
where:
Base-Base interactions energy: -131.635
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.157
local terms energy: -58.096625
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -15.845
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: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -190.408699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.408699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.497534 (E_RNA)
where:
Base-Base interactions energy: -129.348
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.059
local terms energy: -61.090880
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -14.986
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: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -187.618300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.618300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.818443 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.011
local terms energy: -62.841169
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -13.988
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: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -176.922623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.922623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.937183 (E_RNA)
where:
Base-Base interactions energy: -124.236
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.001
local terms energy: -52.699886
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -12.757
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -178.579271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.579271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.627689 (E_RNA)
where:
Base-Base interactions energy: -120.655
where: short stacking energy: -56.812
Base-Backbone interact. energy: -0.005
local terms energy: -57.968589
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -15.866
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: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -175.014719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.014719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.031625 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.268
local terms energy: -51.555998
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -14.358
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: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -172.673290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.673290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.687962 (E_RNA)
where:
Base-Base interactions energy: -117.614
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.128
local terms energy: -54.945378
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -13.751
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -164.217739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.217739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376079 (E_RNA)
where:
Base-Base interactions energy: -110.669
where: short stacking energy: -45.009
Base-Backbone interact. energy: -0.104
local terms energy: -53.603455
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -11.429
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: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -173.796712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.796712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.141455 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -48.714
Base-Backbone interact. energy: -0.165
local terms energy: -55.946259
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -13.727
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: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -189.164198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.164198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.167560 (E_RNA)
where:
Base-Base interactions energy: -129.334
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.047
local terms energy: -59.786279
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -16.692
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -193.719542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.719542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864697 (E_RNA)
where:
Base-Base interactions energy: -131.416
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.010
local terms energy: -62.437928
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -16.789
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: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -186.261823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.261823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.274235 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.002
local terms energy: -57.466703
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -13.551
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: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -182.045543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.045543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.282707 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.000
local terms energy: -56.789601
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -15.334
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: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -172.491716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.491716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.873960 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.001
local terms energy: -52.478042
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -11.658
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: 423
Temperature: 1.150000
Total energy: -171.713359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.713359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.797331 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.000
local terms energy: -53.817018
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -13.787
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: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -177.440585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.440585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.532669 (E_RNA)
where:
Base-Base interactions energy: -119.768
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.001
local terms energy: -57.764158
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.405
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -165.063395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.119637 (E_RNA)
where:
Base-Base interactions energy: -111.368
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.000
local terms energy: -53.751855
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -12.445
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -168.300709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.300709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.490336 (E_RNA)
where:
Base-Base interactions energy: -115.902
where: short stacking energy: -47.032
Base-Backbone interact. energy: -0.157
local terms energy: -52.430569
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -13.648
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: 423
Temperature: 1.350000
Total energy: -161.715858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.715858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.797749 (E_RNA)
where:
Base-Base interactions energy: -113.553
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.196
local terms energy: -48.049151
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -8.800
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: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -190.301408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.347709 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.005
local terms energy: -58.392366
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.155
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -192.647998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.647998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.775875 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.026
local terms energy: -62.953073
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -15.009
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: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -192.879918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.879918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.943880 (E_RNA)
where:
Base-Base interactions energy: -129.003
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.301
local terms energy: -63.640333
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -16.934
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: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -187.130450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.130450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.163791 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.004
local terms energy: -56.097448
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -12.849
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: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -189.381546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.381546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438118 (E_RNA)
where:
Base-Base interactions energy: -128.323
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.572
local terms energy: -60.543498
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -16.523
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: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -187.371454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.371454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.580459 (E_RNA)
where:
Base-Base interactions energy: -131.483
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.204
local terms energy: -55.893012
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -11.871
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: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -179.696306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.696306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.703813 (E_RNA)
where:
Base-Base interactions energy: -123.577
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.002
local terms energy: -56.124683
where:
bonds (distance) C4'-P energy: -7.402
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -15.986
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: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -171.698925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.698925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.854880 (E_RNA)
where:
Base-Base interactions energy: -117.410
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.024
local terms energy: -54.420768
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -14.305
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: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -171.240040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.240040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.272998 (E_RNA)
where:
Base-Base interactions energy: -116.490
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.113
local terms energy: -54.670384
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -15.808
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -158.328529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.328529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.460793 (E_RNA)
where:
Base-Base interactions energy: -107.539
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.716
local terms energy: -50.206009
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -8.824
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: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -193.912672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.992557 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.018
local terms energy: -61.814536
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -17.500
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -191.465393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.465393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.513922 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -59.400
Base-Backbone interact. energy: -0.004
local terms energy: -62.869644
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -16.099
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: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -186.314049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.314049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425896 (E_RNA)
where:
Base-Base interactions energy: -126.607
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.622
local terms energy: -59.196440
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -15.572
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: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -187.000306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.000306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.000420 (E_RNA)
where:
Base-Base interactions energy: -128.328
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.075
local terms energy: -58.597907
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -13.805
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: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -176.969343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969343 (E_RNA)
where:
Base-Base interactions energy: -124.649
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.543
local terms energy: -51.777100
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -177.546354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.546354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.594957 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -54.554
Base-Backbone interact. energy: -0.131
local terms energy: -54.640515
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -15.462
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: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -177.522533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.522533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.537684 (E_RNA)
where:
Base-Base interactions energy: -125.276
where: short stacking energy: -56.899
Base-Backbone interact. energy: -0.002
local terms energy: -52.260415
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.955
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: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -172.630402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.630402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.664366 (E_RNA)
where:
Base-Base interactions energy: -122.835
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.006
local terms energy: -49.823308
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -5.964
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.945
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: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -175.469634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.469634 (E_RNA)
where:
Base-Base interactions energy: -121.599
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.015
local terms energy: -53.855807
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -172.646756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.646756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773843 (E_RNA)
where:
Base-Base interactions energy: -119.971
where: short stacking energy: -53.230
Base-Backbone interact. energy: 1.907
local terms energy: -54.709849
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -7.363
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -11.927
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: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -189.895819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.895819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.968727 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.001
local terms energy: -61.316032
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -14.460
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: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -186.914150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.914150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.940396 (E_RNA)
where:
Base-Base interactions energy: -124.856
where: short stacking energy: -56.556
Base-Backbone interact. energy: -0.001
local terms energy: -62.084077
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -14.590
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: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -184.987218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.042277 (E_RNA)
where:
Base-Base interactions energy: -132.873
where: short stacking energy: -53.108
Base-Backbone interact. energy: -0.184
local terms energy: -51.985823
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -11.761
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: 426
Temperature: 1.050000
Total energy: -179.824145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.824145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.825459 (E_RNA)
where:
Base-Base interactions energy: -126.515
where: short stacking energy: -53.545
Base-Backbone interact. energy: -0.045
local terms energy: -53.265825
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -9.479
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -172.556718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.556718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.606845 (E_RNA)
where:
Base-Base interactions energy: -123.365
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.000
local terms energy: -49.241756
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: -15.488
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: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -175.025902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.070848 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -50.681
Base-Backbone interact. energy: -0.000
local terms energy: -54.418215
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -16.355
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: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -178.422638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.422638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.597366 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -56.015
Base-Backbone interact. energy: -0.027
local terms energy: -57.522737
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -14.304
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: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -162.301013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.301013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.381613 (E_RNA)
where:
Base-Base interactions energy: -107.686
where: short stacking energy: -37.795
Base-Backbone interact. energy: -0.723
local terms energy: -53.972187
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -7.734
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -10.862
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: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -160.683318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.683318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.942514 (E_RNA)
where:
Base-Base interactions energy: -106.067
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.182
local terms energy: -54.693176
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -9.676
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: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -163.815744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.815744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.007068 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -47.177
Base-Backbone interact. energy: -0.302
local terms energy: -55.161039
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -14.890
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -188.957028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.957028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088070 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.002
local terms energy: -61.164510
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -14.486
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -192.404802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.404802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417011 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.010
local terms energy: -63.249934
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -16.315
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: 427
Temperature: 1.000000
Total energy: -182.886836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.886836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.886836 (E_RNA)
where:
Base-Base interactions energy: -125.635
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.000
local terms energy: -57.251868
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.014
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: 427
Temperature: 1.050000
Total energy: -181.588263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.588263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.915396 (E_RNA)
where:
Base-Base interactions energy: -120.355
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.402
local terms energy: -61.158529
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -16.572
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: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -169.246854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.246854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.261143 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.017
local terms energy: -48.955025
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -12.330
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: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -178.158086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.158086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167348 (E_RNA)
where:
Base-Base interactions energy: -121.926
where: short stacking energy: -59.225
Base-Backbone interact. energy: 1.120
local terms energy: -57.361920
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -16.039
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: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -173.966258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.966258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.094077 (E_RNA)
where:
Base-Base interactions energy: -117.116
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.119
local terms energy: -56.859968
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -12.514
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: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -170.906370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.934302 (E_RNA)
where:
Base-Base interactions energy: -117.357
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.722
local terms energy: -52.855619
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -11.052
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: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -164.775988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.775988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.775988 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.435
local terms energy: -46.669088
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -7.319
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -163.895263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.980517 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -45.197
Base-Backbone interact. energy: -0.002
local terms energy: -47.713469
where:
bonds (distance) C4'-P energy: -6.881
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -10.261
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: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -193.056453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056453 (E_RNA)
where:
Base-Base interactions energy: -127.786
where: short stacking energy: -58.528
Base-Backbone interact. energy: 0.041
local terms energy: -65.310763
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -15.693
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -187.631941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.706329 (E_RNA)
where:
Base-Base interactions energy: -130.034
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.001
local terms energy: -57.671439
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -13.594
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: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -185.093147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.095815 (E_RNA)
where:
Base-Base interactions energy: -128.047
where: short stacking energy: -59.515
Base-Backbone interact. energy: -0.012
local terms energy: -57.036466
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -14.724
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: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -182.497440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.497440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.642162 (E_RNA)
where:
Base-Base interactions energy: -121.806
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.006
local terms energy: -60.830195
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -11.990
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: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -182.078337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.078337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.099868 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.000
local terms energy: -58.056669
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -16.899
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: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -171.029367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.029367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.167378 (E_RNA)
where:
Base-Base interactions energy: -113.344
where: short stacking energy: -47.255
Base-Backbone interact. energy: -0.246
local terms energy: -57.577732
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -10.951
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: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -184.350134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.350134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.350134 (E_RNA)
where:
Base-Base interactions energy: -129.240
where: short stacking energy: -58.355
Base-Backbone interact. energy: -0.002
local terms energy: -55.108992
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -167.657099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.657099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.899849 (E_RNA)
where:
Base-Base interactions energy: -111.030
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.164
local terms energy: -56.706434
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -12.219
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: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -168.267113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.487905 (E_RNA)
where:
Base-Base interactions energy: -115.519
where: short stacking energy: -47.490
Base-Backbone interact. energy: -0.000
local terms energy: -52.968706
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -13.414
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: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -173.375624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.375624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.441582 (E_RNA)
where:
Base-Base interactions energy: -119.767
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.031
local terms energy: -53.643679
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -15.168
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: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -197.654776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.654776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.654776 (E_RNA)
where:
Base-Base interactions energy: -136.395
where: short stacking energy: -63.653
Base-Backbone interact. energy: -0.003
local terms energy: -61.257284
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -13.190
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: 429
Temperature: 0.950000
Total energy: -190.596315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.596315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641329 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.039
local terms energy: -59.618317
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -15.388
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -189.463001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.463001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.463001 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.014
local terms energy: -59.579904
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -16.899
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -182.484764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.484764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.538203 (E_RNA)
where:
Base-Base interactions energy: -125.054
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.011
local terms energy: -57.473293
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -14.699
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: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -177.698701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.698701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.698701 (E_RNA)
where:
Base-Base interactions energy: -118.184
where: short stacking energy: -44.436
Base-Backbone interact. energy: -0.014
local terms energy: -59.500992
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -185.281106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.281106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.281106 (E_RNA)
where:
Base-Base interactions energy: -130.293
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.018
local terms energy: -54.970147
where:
bonds (distance) C4'-P energy: -7.062
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -16.009
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: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -166.262582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.262582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.562748 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -46.469
Base-Backbone interact. energy: -1.248
local terms energy: -50.194595
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -10.447
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -168.815389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.815389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.910888 (E_RNA)
where:
Base-Base interactions energy: -117.911
where: short stacking energy: -40.805
Base-Backbone interact. energy: -0.189
local terms energy: -50.811001
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -11.386
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: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -173.361273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.361273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.390082 (E_RNA)
where:
Base-Base interactions energy: -114.196
where: short stacking energy: -51.321
Base-Backbone interact. energy: -0.001
local terms energy: -59.193311
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -13.697
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: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -166.313638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.313638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.491597 (E_RNA)
where:
Base-Base interactions energy: -115.975
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.396
local terms energy: -50.120882
where:
bonds (distance) C4'-P energy: -6.534
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -10.110
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: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -193.719173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.719173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.719173 (E_RNA)
where:
Base-Base interactions energy: -132.850
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.000
local terms energy: -60.868952
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -12.909
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: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -191.216928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.216928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238008 (E_RNA)
where:
Base-Base interactions energy: -126.974
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.006
local terms energy: -64.258437
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -14.788
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: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -184.986647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.986647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.095472 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -48.992
Base-Backbone interact. energy: -0.024
local terms energy: -62.163785
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -12.937
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: 430
Temperature: 1.050000
Total energy: -185.837175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.837175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.890620 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.002
local terms energy: -58.350488
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -15.803
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: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -182.774059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.774059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.814785 (E_RNA)
where:
Base-Base interactions energy: -125.091
where: short stacking energy: -57.425
Base-Backbone interact. energy: 0.621
local terms energy: -58.344180
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -14.144
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: 430
Temperature: 1.150000
Total energy: -177.193742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.193742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231771 (E_RNA)
where:
Base-Base interactions energy: -120.556
where: short stacking energy: -51.211
Base-Backbone interact. energy: -0.422
local terms energy: -56.253622
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.622
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -180.149521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.149521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.170163 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -54.006
Base-Backbone interact. energy: -0.237
local terms energy: -50.637450
where:
bonds (distance) C4'-P energy: -7.079
bonds (distance) P-C4' energy: -8.492
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -12.761
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: 430
Temperature: 1.250000
Total energy: -163.983126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.983126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.029360 (E_RNA)
where:
Base-Base interactions energy: -117.084
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.379
local terms energy: -46.565926
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -10.716
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: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -166.979533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.979533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.990448 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -55.316
Base-Backbone interact. energy: -0.005
local terms energy: -43.057097
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -6.739
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -13.628
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: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -161.522263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.522263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.528927 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -48.353
Base-Backbone interact. energy: 0.021
local terms energy: -46.648971
where:
bonds (distance) C4'-P energy: -6.861
bonds (distance) P-C4' energy: -6.735
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -10.952
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: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -190.081616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.081616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.150319 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.003
local terms energy: -59.596377
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -13.678
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: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -183.979711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.024305 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.002
local terms energy: -58.729933
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -6.964
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -15.698
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -186.208494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.208494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.208494 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -55.279
Base-Backbone interact. energy: 0.395
local terms energy: -60.896277
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -11.688
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -179.390083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.407214 (E_RNA)
where:
Base-Base interactions energy: -125.779
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.007
local terms energy: -53.621408
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -10.811
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: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -180.350530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.350530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.350530 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.000
local terms energy: -55.949121
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -185.079648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.079648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122005 (E_RNA)
where:
Base-Base interactions energy: -129.723
where: short stacking energy: -51.604
Base-Backbone interact. energy: -0.078
local terms energy: -55.321015
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -12.679
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: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -173.887961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.887961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.928285 (E_RNA)
where:
Base-Base interactions energy: -124.105
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.129
local terms energy: -49.694252
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -11.787
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: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -165.171659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.171659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.300961 (E_RNA)
where:
Base-Base interactions energy: -115.833
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.013
local terms energy: -49.455526
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -6.806
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -13.082
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: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -161.366684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.366684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.417935 (E_RNA)
where:
Base-Base interactions energy: -108.601
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.001
local terms energy: -52.815946
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -9.659
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -10.280
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -156.171271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.171271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.184938 (E_RNA)
where:
Base-Base interactions energy: -103.220
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.189
local terms energy: -52.775534
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -8.456
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: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -195.189789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.189789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.189789 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.578
local terms energy: -66.940316
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.192
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: 432
Temperature: 0.950000
Total energy: -190.639238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.639238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.639238 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -54.567
Base-Backbone interact. energy: -0.000
local terms energy: -66.062195
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.657
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: 432
Temperature: 1.000000
Total energy: -186.560463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.560463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.560463 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.000
local terms energy: -62.107882
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -15.866
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: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -189.927645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.927645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.977740 (E_RNA)
where:
Base-Base interactions energy: -129.729
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.037
local terms energy: -60.212331
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -14.152
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: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -184.061154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061154 (E_RNA)
where:
Base-Base interactions energy: -129.358
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.000
local terms energy: -54.703154
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -177.726730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.726730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.823815 (E_RNA)
where:
Base-Base interactions energy: -124.736
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.004
local terms energy: -53.084260
where:
bonds (distance) C4'-P energy: -8.006
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -12.330
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: 432
Temperature: 1.200000
Total energy: -167.229120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.270059 (E_RNA)
where:
Base-Base interactions energy: -110.793
where: short stacking energy: -48.382
Base-Backbone interact. energy: -0.008
local terms energy: -56.469766
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -14.150
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: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -172.354375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.354375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454536 (E_RNA)
where:
Base-Base interactions energy: -125.316
where: short stacking energy: -48.186
Base-Backbone interact. energy: 0.163
local terms energy: -47.301834
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -7.384
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: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -162.663320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.663320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.692353 (E_RNA)
where:
Base-Base interactions energy: -112.826
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.183
local terms energy: -49.682723
where:
bonds (distance) C4'-P energy: -8.081
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -10.252
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: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -161.290594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.290594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.331388 (E_RNA)
where:
Base-Base interactions energy: -111.053
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.743
local terms energy: -49.534978
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -9.347
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: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -195.492863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.492863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561541 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.038
local terms energy: -62.801072
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -18.200
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: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -192.375394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.375394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378309 (E_RNA)
where:
Base-Base interactions energy: -126.442
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.001
local terms energy: -65.934544
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -15.880
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: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -186.927244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.927244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.927502 (E_RNA)
where:
Base-Base interactions energy: -124.627
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.001
local terms energy: -62.298900
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -11.793
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: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -181.699351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.699351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.699351 (E_RNA)
where:
Base-Base interactions energy: -123.394
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.002
local terms energy: -58.303880
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -13.737
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: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -178.935203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.935203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.005669 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.005
local terms energy: -54.862030
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -14.304
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: 433
Temperature: 1.150000
Total energy: -177.711915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.711915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.810207 (E_RNA)
where:
Base-Base interactions energy: -121.830
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.004
local terms energy: -55.976240
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -14.893
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: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -183.527671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.527671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.016784 (E_RNA)
where:
Base-Base interactions energy: -122.460
where: short stacking energy: -56.462
Base-Backbone interact. energy: -0.027
local terms energy: -61.529797
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -16.591
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: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -175.913772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.913772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.919549 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.001
local terms energy: -48.251921
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -5.644
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -14.246
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: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -166.388180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.388180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.395099 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -49.596
Base-Backbone interact. energy: -0.000
local terms energy: -50.532013
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -15.772
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -165.892269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.892269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.016847 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.039
local terms energy: -52.466453
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -12.925
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: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -197.334889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.398257 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.357
local terms energy: -64.501415
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -16.891
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -189.556621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.556621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.686445 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -60.389
Base-Backbone interact. energy: -0.001
local terms energy: -64.253644
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -18.251
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -187.725421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.725421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.855434 (E_RNA)
where:
Base-Base interactions energy: -122.928
where: short stacking energy: -56.544
Base-Backbone interact. energy: -0.056
local terms energy: -64.871155
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -16.684
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -187.642926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.642926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.859546 (E_RNA)
where:
Base-Base interactions energy: -130.259
where: short stacking energy: -57.392
Base-Backbone interact. energy: 0.253
local terms energy: -57.853800
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -14.889
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: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -180.838291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.838291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.889899 (E_RNA)
where:
Base-Base interactions energy: -127.368
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.046
local terms energy: -53.475853
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -14.940
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: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -183.542743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.542743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.583334 (E_RNA)
where:
Base-Base interactions energy: -131.126
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.051
local terms energy: -52.406440
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -13.314
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: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -169.215107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.215107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.215107 (E_RNA)
where:
Base-Base interactions energy: -117.630
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.001
local terms energy: -51.584247
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -7.061
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -179.577571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.577571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.757235 (E_RNA)
where:
Base-Base interactions energy: -125.774
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.001
local terms energy: -53.981876
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -14.538
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: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -171.130589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.130589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.264851 (E_RNA)
where:
Base-Base interactions energy: -112.302
where: short stacking energy: -47.911
Base-Backbone interact. energy: 0.883
local terms energy: -59.845935
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -16.843
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: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -158.634130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.634130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.101132 (E_RNA)
where:
Base-Base interactions energy: -106.709
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.003
local terms energy: -52.389337
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -15.474
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: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -197.956271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.063811 (E_RNA)
where:
Base-Base interactions energy: -132.684
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.001
local terms energy: -65.378165
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -18.341
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: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -195.080412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.080412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167323 (E_RNA)
where:
Base-Base interactions energy: -135.150
where: short stacking energy: -60.675
Base-Backbone interact. energy: 0.496
local terms energy: -60.513199
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.848
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -188.740449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.740449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.791815 (E_RNA)
where:
Base-Base interactions energy: -125.909
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.020
local terms energy: -62.862525
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -14.987
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: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -183.424913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.424913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.497019 (E_RNA)
where:
Base-Base interactions energy: -129.787
where: short stacking energy: -62.115
Base-Backbone interact. energy: -0.052
local terms energy: -53.658121
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -14.195
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: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -191.600992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.600992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.606799 (E_RNA)
where:
Base-Base interactions energy: -130.357
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.035
local terms energy: -61.214539
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -17.475
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: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -177.452393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.452393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.452393 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.077
local terms energy: -54.986817
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.302
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: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -172.059870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.059870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.062691 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -43.510
Base-Backbone interact. energy: -0.283
local terms energy: -52.702100
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -8.318
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -176.232051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.232051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.469236 (E_RNA)
where:
Base-Base interactions energy: -115.887
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.174
local terms energy: -60.408008
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -12.484
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -166.048145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.048145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.158200 (E_RNA)
where:
Base-Base interactions energy: -112.934
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.001
local terms energy: -53.223280
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.643
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: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -163.890715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.890715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.956540 (E_RNA)
where:
Base-Base interactions energy: -115.320
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.036
local terms energy: -48.601026
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -11.153
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: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -194.289569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.289569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.302920 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.012
local terms energy: -60.636544
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -15.827
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: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -185.896721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.896721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.931095 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.153
local terms energy: -54.904812
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -9.291
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: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -187.687667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.687667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.694614 (E_RNA)
where:
Base-Base interactions energy: -128.173
where: short stacking energy: -58.874
Base-Backbone interact. energy: -0.005
local terms energy: -59.516914
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -15.366
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: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -181.604065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.604065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626265 (E_RNA)
where:
Base-Base interactions energy: -125.347
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.016
local terms energy: -56.262828
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -13.150
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: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -171.542162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.542162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.542162 (E_RNA)
where:
Base-Base interactions energy: -119.793
where: short stacking energy: -52.656
Base-Backbone interact. energy: 0.034
local terms energy: -51.783497
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -181.993277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.993277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.161043 (E_RNA)
where:
Base-Base interactions energy: -126.974
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.097
local terms energy: -55.089337
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -12.184
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: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -175.752160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.752160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.895226 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -54.581
Base-Backbone interact. energy: -0.016
local terms energy: -55.445844
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.873
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -172.320806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.320806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.514722 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.008
local terms energy: -51.991631
where:
bonds (distance) C4'-P energy: -6.826
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -17.337
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: 436
Temperature: 1.300000
Total energy: -163.931611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.931611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.954001 (E_RNA)
where:
Base-Base interactions energy: -117.645
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.312
local terms energy: -45.997129
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -14.313
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: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -161.914207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.914207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.189670 (E_RNA)
where:
Base-Base interactions energy: -111.301
where: short stacking energy: -41.530
Base-Backbone interact. energy: -0.169
local terms energy: -50.720286
where:
bonds (distance) C4'-P energy: -6.333
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -12.768
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: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -193.761527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.761527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.766730 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.001
local terms energy: -61.540488
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -16.314
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: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -194.372737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.372737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.558560 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.006
local terms energy: -62.169560
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -14.814
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -186.366252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.366252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530574 (E_RNA)
where:
Base-Base interactions energy: -125.692
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.003
local terms energy: -60.835294
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -16.509
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: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -185.115590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.236783 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.102
local terms energy: -59.609828
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -17.191
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: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -177.204659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.204659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.225992 (E_RNA)
where:
Base-Base interactions energy: -124.752
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.127
local terms energy: -52.347578
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -11.597
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: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -176.309650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.309650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.328701 (E_RNA)
where:
Base-Base interactions energy: -124.450
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.008
local terms energy: -51.870279
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -11.631
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: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -173.560569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.632855 (E_RNA)
where:
Base-Base interactions energy: -119.202
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.009
local terms energy: -54.422429
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -14.228
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: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -175.435074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.435074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.564434 (E_RNA)
where:
Base-Base interactions energy: -122.219
where: short stacking energy: -55.437
Base-Backbone interact. energy: -0.587
local terms energy: -52.758258
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -14.933
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: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -170.379205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.379205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.487479 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.000
local terms energy: -52.018092
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -13.458
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: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -175.377201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.377201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631805 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.028
local terms energy: -58.245451
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -11.512
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: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -195.843266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.843266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.862051 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.054
local terms energy: -64.717575
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -17.447
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: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -182.799960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.799960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.910904 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -54.983
Base-Backbone interact. energy: -0.015
local terms energy: -59.429042
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -14.799
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -188.458782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.458782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.707545 (E_RNA)
where:
Base-Base interactions energy: -126.174
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.017
local terms energy: -62.516985
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.460
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: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -187.024552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.024552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024552 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.009
local terms energy: -58.654410
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -14.365
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: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -183.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.380650 (E_RNA)
where:
Base-Base interactions energy: -128.029
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.673
local terms energy: -54.678195
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -15.170
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: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -181.352380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386604 (E_RNA)
where:
Base-Base interactions energy: -128.753
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.023
local terms energy: -52.610420
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -13.230
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -169.695402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.695402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.768793 (E_RNA)
where:
Base-Base interactions energy: -116.276
where: short stacking energy: -49.725
Base-Backbone interact. energy: -0.004
local terms energy: -53.488185
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -10.661
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: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -173.531006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.531006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.563959 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -51.194
Base-Backbone interact. energy: 0.028
local terms energy: -55.175126
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -14.057
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: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -162.926462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.926462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.967026 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -48.429
Base-Backbone interact. energy: -0.008
local terms energy: -48.285986
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -11.287
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -160.206704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.206704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.446421 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.031
local terms energy: -49.142375
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -11.808
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: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -195.557885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.557885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.598935 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.004
local terms energy: -61.798535
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -14.562
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: 439
Temperature: 0.950000
Total energy: -192.857036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.857036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.862539 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.017
local terms energy: -60.342833
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -16.249
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: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -180.338713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.338713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346352 (E_RNA)
where:
Base-Base interactions energy: -128.223
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.021
local terms energy: -52.102366
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -13.811
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: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -188.589793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.589793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.605503 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.001
local terms energy: -56.494627
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -14.944
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: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -177.941196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.941196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.021111 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -55.564
Base-Backbone interact. energy: -0.003
local terms energy: -55.878675
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -13.517
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: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -172.975177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.975177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.098697 (E_RNA)
where:
Base-Base interactions energy: -121.097
where: short stacking energy: -50.918
Base-Backbone interact. energy: -0.438
local terms energy: -51.564569
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -7.437
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -10.261
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: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -181.805821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.805821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.810950 (E_RNA)
where:
Base-Base interactions energy: -123.906
where: short stacking energy: -54.053
Base-Backbone interact. energy: -0.006
local terms energy: -57.898744
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -11.888
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: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -170.648221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.648221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.740581 (E_RNA)
where:
Base-Base interactions energy: -120.160
where: short stacking energy: -57.695
Base-Backbone interact. energy: -0.000
local terms energy: -50.579979
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -9.621
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -15.921
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: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -163.914265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.914265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.996615 (E_RNA)
where:
Base-Base interactions energy: -110.828
where: short stacking energy: -47.601
Base-Backbone interact. energy: 0.302
local terms energy: -53.469985
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -13.558
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -170.892272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.892272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.959381 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.002
local terms energy: -53.784849
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -12.541
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: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -196.707607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.707607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.707607 (E_RNA)
where:
Base-Base interactions energy: -131.955
where: short stacking energy: -61.160
Base-Backbone interact. energy: -0.122
local terms energy: -64.631178
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -16.527
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: 440
Temperature: 0.950000
Total energy: -191.104652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.104652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.160836 (E_RNA)
where:
Base-Base interactions energy: -128.757
where: short stacking energy: -56.522
Base-Backbone interact. energy: 0.283
local terms energy: -62.687747
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -14.648
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -186.864307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.864307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.871021 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.001
local terms energy: -57.660786
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -15.240
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: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -183.477908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.477908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574951 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.881
local terms energy: -59.334109
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -16.654
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: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -182.702661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.702661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.764977 (E_RNA)
where:
Base-Base interactions energy: -122.271
where: short stacking energy: -53.131
Base-Backbone interact. energy: -0.000
local terms energy: -60.493556
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -16.622
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: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -160.947191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.947191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.983114 (E_RNA)
where:
Base-Base interactions energy: -110.033
where: short stacking energy: -40.654
Base-Backbone interact. energy: -0.148
local terms energy: -50.801722
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -8.559
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: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -165.270425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.270425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293573 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -50.159
Base-Backbone interact. energy: -0.249
local terms energy: -47.836305
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -12.362
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: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -170.266536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.266536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.321268 (E_RNA)
where:
Base-Base interactions energy: -107.402
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.038
local terms energy: -62.881469
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -15.733
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: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -158.154658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.154658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.288978 (E_RNA)
where:
Base-Base interactions energy: -108.243
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.024
local terms energy: -50.021484
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -8.059
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: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -165.687148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.766289 (E_RNA)
where:
Base-Base interactions energy: -115.401
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.000
local terms energy: -50.364861
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -13.987
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -195.681463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.681463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.698011 (E_RNA)
where:
Base-Base interactions energy: -134.718
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.021
local terms energy: -60.959224
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -15.978
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: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -187.851158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.851158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.927549 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.001
local terms energy: -58.389075
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -15.618
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -187.563393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.563393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.563393 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.001
local terms energy: -58.958296
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -14.256
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: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -187.707259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.730482 (E_RNA)
where:
Base-Base interactions energy: -128.230
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.631
local terms energy: -58.869580
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -17.109
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: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -181.672582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.672582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.757855 (E_RNA)
where:
Base-Base interactions energy: -123.780
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.001
local terms energy: -57.976531
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -13.749
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: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -174.809588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.809588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.115734 (E_RNA)
where:
Base-Base interactions energy: -123.995
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.034
local terms energy: -51.086612
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -8.096
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -10.395
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: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -165.416258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.416258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.573280 (E_RNA)
where:
Base-Base interactions energy: -112.027
where: short stacking energy: -48.177
Base-Backbone interact. energy: -0.005
local terms energy: -53.540950
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -11.064
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -175.066283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.066283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.137678 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.055
local terms energy: -54.169130
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -10.910
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: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -167.011341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.011341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.099065 (E_RNA)
where:
Base-Base interactions energy: -112.820
where: short stacking energy: -41.965
Base-Backbone interact. energy: -0.012
local terms energy: -54.266257
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -12.279
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: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -167.927190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.927190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.927190 (E_RNA)
where:
Base-Base interactions energy: -117.394
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.072
local terms energy: -50.461085
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -193.649724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.728700 (E_RNA)
where:
Base-Base interactions energy: -132.954
where: short stacking energy: -62.885
Base-Backbone interact. energy: 0.497
local terms energy: -61.271796
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -13.650
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: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -194.732147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802420 (E_RNA)
where:
Base-Base interactions energy: -129.114
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.007
local terms energy: -65.681907
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -17.323
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: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -182.958718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.958718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.958718 (E_RNA)
where:
Base-Base interactions energy: -125.449
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.071
local terms energy: -57.438369
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -10.056
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: 442
Temperature: 1.050000
Total energy: -182.826826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.826826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.826826 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.001
local terms energy: -55.436068
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -15.143
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: 442
Temperature: 1.100000
Total energy: -178.903818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.903818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.907076 (E_RNA)
where:
Base-Base interactions energy: -120.039
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.093
local terms energy: -58.775028
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -13.102
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: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -176.557183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.557183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.557183 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -52.051
Base-Backbone interact. energy: -0.001
local terms energy: -59.976491
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -175.392844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.392844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.447877 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.115
local terms energy: -53.747266
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -12.365
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -164.642547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.642547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.666825 (E_RNA)
where:
Base-Base interactions energy: -112.505
where: short stacking energy: -49.596
Base-Backbone interact. energy: 0.373
local terms energy: -52.534540
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -13.487
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: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -165.403589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.403589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.465668 (E_RNA)
where:
Base-Base interactions energy: -111.351
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.073
local terms energy: -54.041971
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -11.575
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: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -173.266046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.266046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.293430 (E_RNA)
where:
Base-Base interactions energy: -127.228
where: short stacking energy: -59.912
Base-Backbone interact. energy: -0.002
local terms energy: -46.063455
where:
bonds (distance) C4'-P energy: -5.816
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -12.441
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: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -193.034684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.034684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.034684 (E_RNA)
where:
Base-Base interactions energy: -135.277
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.003
local terms energy: -57.754924
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -17.282
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: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -192.025784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.025784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.087727 (E_RNA)
where:
Base-Base interactions energy: -133.890
where: short stacking energy: -64.128
Base-Backbone interact. energy: -0.013
local terms energy: -58.185018
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -14.304
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: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -183.268287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.268287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.268287 (E_RNA)
where:
Base-Base interactions energy: -126.733
where: short stacking energy: -52.971
Base-Backbone interact. energy: -0.622
local terms energy: -55.913058
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -12.626
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: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -181.993734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.993734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.002096 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.137
local terms energy: -52.276075
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -11.193
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: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -178.869416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.869416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.915713 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.002
local terms energy: -55.471997
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.093
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -176.603542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.827142 (E_RNA)
where:
Base-Base interactions energy: -123.026
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.004
local terms energy: -53.796822
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -13.690
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: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -180.845325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.845325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.984914 (E_RNA)
where:
Base-Base interactions energy: -119.521
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.010
local terms energy: -61.454385
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -17.331
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: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -172.310268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.310268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.314517 (E_RNA)
where:
Base-Base interactions energy: -114.082
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.024
local terms energy: -58.208815
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -11.377
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: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -172.265219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.265219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.568632 (E_RNA)
where:
Base-Base interactions energy: -121.994
where: short stacking energy: -46.784
Base-Backbone interact. energy: -0.088
local terms energy: -50.486644
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -11.010
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: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -164.833366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.833366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.833366 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -48.933
Base-Backbone interact. energy: -0.057
local terms energy: -46.995717
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -7.886
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -193.558998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.558998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.615444 (E_RNA)
where:
Base-Base interactions energy: -132.519
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.023
local terms energy: -61.073437
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -15.531
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -197.759306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.759306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.772705 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.001
local terms energy: -59.360743
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -16.298
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: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -190.991504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.042027 (E_RNA)
where:
Base-Base interactions energy: -128.949
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.454
local terms energy: -61.638634
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -13.619
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: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -185.347809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.347809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.347809 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.105
local terms energy: -52.419308
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -12.190
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -182.318340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.318340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.318340 (E_RNA)
where:
Base-Base interactions energy: -127.058
where: short stacking energy: -50.592
Base-Backbone interact. energy: 0.162
local terms energy: -55.422825
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -11.282
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -178.062750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.147917 (E_RNA)
where:
Base-Base interactions energy: -119.991
where: short stacking energy: -56.399
Base-Backbone interact. energy: -0.013
local terms energy: -58.143321
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -13.146
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: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -181.403595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.403595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.484536 (E_RNA)
where:
Base-Base interactions energy: -119.821
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.074
local terms energy: -61.589538
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -15.636
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: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -176.023855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.049331 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.093
local terms energy: -49.481750
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -8.632
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: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -173.480977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.480977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.528866 (E_RNA)
where:
Base-Base interactions energy: -117.950
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.000
local terms energy: -55.578495
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -12.842
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -162.488779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.488779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.553862 (E_RNA)
where:
Base-Base interactions energy: -116.369
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.079
local terms energy: -46.106537
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -10.414
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: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -197.009458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.009458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.122272 (E_RNA)
where:
Base-Base interactions energy: -128.252
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.011
local terms energy: -68.859982
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -18.121
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -188.239281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.239281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.452304 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -57.282
Base-Backbone interact. energy: -0.423
local terms energy: -56.333105
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -14.120
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: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -193.403529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.478315 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -61.579
Base-Backbone interact. energy: -0.001
local terms energy: -61.610836
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -17.270
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: 445
Temperature: 1.050000
Total energy: -176.778822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.778822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044183 (E_RNA)
where:
Base-Base interactions energy: -124.539
where: short stacking energy: -52.762
Base-Backbone interact. energy: -0.023
local terms energy: -52.482423
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -12.870
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: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -181.283696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.283696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.283696 (E_RNA)
where:
Base-Base interactions energy: -125.153
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.384
local terms energy: -55.746698
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -189.490844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.490844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.547106 (E_RNA)
where:
Base-Base interactions energy: -125.554
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.002
local terms energy: -63.990621
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -16.486
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: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -173.609384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.647758 (E_RNA)
where:
Base-Base interactions energy: -118.944
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.259
local terms energy: -54.445163
where:
bonds (distance) C4'-P energy: -7.261
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -14.707
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -169.438238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.438238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.526770 (E_RNA)
where:
Base-Base interactions energy: -117.157
where: short stacking energy: -52.162
Base-Backbone interact. energy: -0.002
local terms energy: -52.367810
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -8.189
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -13.568
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: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -166.347990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.347990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.348939 (E_RNA)
where:
Base-Base interactions energy: -119.163
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.770
local terms energy: -46.415324
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -10.638
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -170.387003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.387003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.463194 (E_RNA)
where:
Base-Base interactions energy: -117.029
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.096
local terms energy: -53.338308
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -11.254
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: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -192.654487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.654487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.696963 (E_RNA)
where:
Base-Base interactions energy: -134.013
where: short stacking energy: -55.032
Base-Backbone interact. energy: 0.177
local terms energy: -58.860083
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -12.972
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: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -188.479159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495328 (E_RNA)
where:
Base-Base interactions energy: -128.214
where: short stacking energy: -58.903
Base-Backbone interact. energy: -0.000
local terms energy: -60.281462
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -14.676
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: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -188.126577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.154415 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -53.161
Base-Backbone interact. energy: -0.447
local terms energy: -60.451629
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -13.647
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -184.647030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.647030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.681007 (E_RNA)
where:
Base-Base interactions energy: -128.366
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.000
local terms energy: -56.314590
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -12.399
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: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -179.171459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220463 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.004
local terms energy: -51.978514
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -11.137
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -177.202957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.202957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.468077 (E_RNA)
where:
Base-Base interactions energy: -119.237
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.671
local terms energy: -57.559836
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -8.481
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: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -169.982529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.982529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.057642 (E_RNA)
where:
Base-Base interactions energy: -124.445
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.002
local terms energy: -45.610385
where:
bonds (distance) C4'-P energy: -6.711
bonds (distance) P-C4' energy: -5.347
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -14.647
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: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -169.488976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.488976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.890543 (E_RNA)
where:
Base-Base interactions energy: -123.877
where: short stacking energy: -46.209
Base-Backbone interact. energy: -0.632
local terms energy: -45.381804
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -9.375
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -9.998
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -177.254505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.254505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.352590 (E_RNA)
where:
Base-Base interactions energy: -121.164
where: short stacking energy: -52.633
Base-Backbone interact. energy: -0.014
local terms energy: -56.174479
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -12.774
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: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -163.140163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.140163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.307093 (E_RNA)
where:
Base-Base interactions energy: -113.158
where: short stacking energy: -51.242
Base-Backbone interact. energy: -0.031
local terms energy: -50.117933
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -12.599
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -189.823024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.823024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845404 (E_RNA)
where:
Base-Base interactions energy: -128.568
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.311
local terms energy: -60.966465
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -14.689
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: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -188.411769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.411769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.529396 (E_RNA)
where:
Base-Base interactions energy: -131.035
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.690
local terms energy: -56.804977
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -12.718
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -189.962550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986231 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.248
local terms energy: -61.234206
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -15.142
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: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -189.411332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.411332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411332 (E_RNA)
where:
Base-Base interactions energy: -133.488
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.001
local terms energy: -55.922682
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -14.444
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: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -181.053987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.053987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.088940 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.234
local terms energy: -58.174729
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -15.055
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: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -176.761454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.761454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943453 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.007
local terms energy: -48.523144
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -5.718
flat angles C4'-P-C4' energy: -8.599
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -15.123
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: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -174.132636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.132636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.175920 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -48.681
Base-Backbone interact. energy: -0.575
local terms energy: -55.847205
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -15.200
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -163.804253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.804253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.826187 (E_RNA)
where:
Base-Base interactions energy: -121.391
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.065
local terms energy: -42.369933
where:
bonds (distance) C4'-P energy: -7.626
bonds (distance) P-C4' energy: 0.381
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -15.640
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: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -167.748157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.748157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.875417 (E_RNA)
where:
Base-Base interactions energy: -116.665
where: short stacking energy: -53.807
Base-Backbone interact. energy: -0.003
local terms energy: -51.207436
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -12.757
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: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -152.317830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.317830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.618913 (E_RNA)
where:
Base-Base interactions energy: -101.955
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.021
local terms energy: -50.642577
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -7.667
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -188.534420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.534420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.616987 (E_RNA)
where:
Base-Base interactions energy: -131.065
where: short stacking energy: -53.583
Base-Backbone interact. energy: -0.001
local terms energy: -57.550628
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -13.820
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: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -186.156129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.159002 (E_RNA)
where:
Base-Base interactions energy: -126.236
where: short stacking energy: -55.690
Base-Backbone interact. energy: 0.994
local terms energy: -60.917332
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -14.259
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: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -192.273232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366300 (E_RNA)
where:
Base-Base interactions energy: -130.507
where: short stacking energy: -59.478
Base-Backbone interact. energy: -0.058
local terms energy: -61.800619
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.897
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -185.997826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.997826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.997826 (E_RNA)
where:
Base-Base interactions energy: -125.548
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.000
local terms energy: -60.449914
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -184.361916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.361916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.530061 (E_RNA)
where:
Base-Base interactions energy: -123.692
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.221
local terms energy: -60.616375
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -14.509
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: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -173.639348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.650690 (E_RNA)
where:
Base-Base interactions energy: -121.909
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.000
local terms energy: -51.741715
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -14.784
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: 448
Temperature: 1.200000
Total energy: -173.983352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.983352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.997687 (E_RNA)
where:
Base-Base interactions energy: -120.672
where: short stacking energy: -54.054
Base-Backbone interact. energy: 0.323
local terms energy: -53.648439
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -11.997
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: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -181.260202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.260202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.365041 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.008
local terms energy: -58.594141
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -16.039
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: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -173.209272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.209272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.213364 (E_RNA)
where:
Base-Base interactions energy: -117.536
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.000
local terms energy: -55.677147
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -14.301
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -163.805065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.805065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.805065 (E_RNA)
where:
Base-Base interactions energy: -108.073
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.845
local terms energy: -54.886703
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -191.372451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.372451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.374931 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.508
local terms energy: -55.936860
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -192.438986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.438986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.500786 (E_RNA)
where:
Base-Base interactions energy: -129.670
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.000
local terms energy: -62.830796
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.982
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: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -186.445875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521580 (E_RNA)
where:
Base-Base interactions energy: -130.563
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.125
local terms energy: -55.834393
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -10.774
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: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -189.308334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.308334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325276 (E_RNA)
where:
Base-Base interactions energy: -130.952
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.009
local terms energy: -58.364668
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -15.340
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: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -178.733134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.733134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.803752 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.039
local terms energy: -53.404681
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.962
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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -179.131003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.131003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.202070 (E_RNA)
where:
Base-Base interactions energy: -120.604
where: short stacking energy: -54.039
Base-Backbone interact. energy: -0.006
local terms energy: -58.592534
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -13.756
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: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -176.433295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.433295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.447073 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -54.295
Base-Backbone interact. energy: -0.002
local terms energy: -56.961871
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.400
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: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -170.329895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.329895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.907424 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -46.177
Base-Backbone interact. energy: 2.562
local terms energy: -49.664092
where:
bonds (distance) C4'-P energy: -4.828
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -12.593
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: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -171.535417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.535417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.834287 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.002
local terms energy: -55.979056
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -8.909
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -15.579
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: 449
Temperature: 1.350000
Total energy: -164.973909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.973909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.267215 (E_RNA)
where:
Base-Base interactions energy: -108.683
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.125
local terms energy: -56.458939
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -9.941
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: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -194.247378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.247378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.305652 (E_RNA)
where:
Base-Base interactions energy: -134.537
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.009
local terms energy: -59.759653
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -16.125
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: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -187.433167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.433167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.498678 (E_RNA)
where:
Base-Base interactions energy: -132.087
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.689
local terms energy: -54.722099
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -12.594
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: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -189.559749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.559749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.573114 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.000
local terms energy: -60.864676
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -17.289
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: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -185.880107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.880107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912020 (E_RNA)
where:
Base-Base interactions energy: -127.464
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.697
local terms energy: -57.751745
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -11.197
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: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -181.005872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.005872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.019439 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.027
local terms energy: -53.714488
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -14.648
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -177.744456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.744456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.821188 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.287
local terms energy: -58.105718
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.010
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: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -169.883924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.883924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.021489 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.050
local terms energy: -54.773437
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -14.731
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: 8, replica: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -169.108689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.108689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223049 (E_RNA)
where:
Base-Base interactions energy: -113.725
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.005
local terms energy: -55.493119
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -15.497
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: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -169.226339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.226339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.382722 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.074
local terms energy: -45.249384
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -10.924
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: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -160.811512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.811512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.814928 (E_RNA)
where:
Base-Base interactions energy: -113.127
where: short stacking energy: -52.035
Base-Backbone interact. energy: -0.354
local terms energy: -47.333944
where:
bonds (distance) C4'-P energy: -8.049
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -9.507
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: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -196.502720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.502720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.712734 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.006
local terms energy: -61.141760
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -8.050
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -17.913
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: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -190.987612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.987612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.206193 (E_RNA)
where:
Base-Base interactions energy: -131.625
where: short stacking energy: -60.482
Base-Backbone interact. energy: -0.002
local terms energy: -59.579135
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -15.308
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -191.814869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.814869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.814869 (E_RNA)
where:
Base-Base interactions energy: -133.442
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.212
local terms energy: -58.161346
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -12.278
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -187.367122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.367122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.417630 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.494
local terms energy: -61.226135
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -17.118
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: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -181.835803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.835803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.883147 (E_RNA)
where:
Base-Base interactions energy: -125.116
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.011
local terms energy: -56.756209
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -14.998
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: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -178.193008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.237960 (E_RNA)
where:
Base-Base interactions energy: -122.772
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.410
local terms energy: -55.055971
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -8.404
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -14.621
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: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -179.654445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.699999 (E_RNA)
where:
Base-Base interactions energy: -122.003
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.124
local terms energy: -57.572930
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -14.791
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: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -166.049818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.049818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.132794 (E_RNA)
where:
Base-Base interactions energy: -118.623
where: short stacking energy: -49.205
Base-Backbone interact. energy: -0.015
local terms energy: -47.495104
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -8.884
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -10.986
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: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -165.897296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.897296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.909601 (E_RNA)
where:
Base-Base interactions energy: -117.850
where: short stacking energy: -55.397
Base-Backbone interact. energy: -0.128
local terms energy: -47.932100
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -13.587
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: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -166.294306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.294306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.294306 (E_RNA)
where:
Base-Base interactions energy: -113.044
where: short stacking energy: -47.107
Base-Backbone interact. energy: -2.063
local terms energy: -51.186960
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -196.191866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.191866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.262725 (E_RNA)
where:
Base-Base interactions energy: -134.258
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.001
local terms energy: -62.003323
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -17.270
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: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -193.320749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.320749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.357488 (E_RNA)
where:
Base-Base interactions energy: -132.741
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.245
local terms energy: -60.372246
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -12.838
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: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -189.390930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.390930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.406669 (E_RNA)
where:
Base-Base interactions energy: -134.494
where: short stacking energy: -62.032
Base-Backbone interact. energy: 0.970
local terms energy: -55.882638
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -12.737
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: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -185.237933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.237933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.356931 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -52.119
Base-Backbone interact. energy: -0.124
local terms energy: -55.307624
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -14.433
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: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -173.291166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.291166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.366452 (E_RNA)
where:
Base-Base interactions energy: -113.546
where: short stacking energy: -51.341
Base-Backbone interact. energy: -0.070
local terms energy: -59.751007
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -15.962
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: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -176.866253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.866253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.866253 (E_RNA)
where:
Base-Base interactions energy: -118.730
where: short stacking energy: -53.629
Base-Backbone interact. energy: -0.086
local terms energy: -58.050180
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -15.746
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: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -179.383851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.383851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.813940 (E_RNA)
where:
Base-Base interactions energy: -119.347
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.034
local terms energy: -60.432649
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -13.543
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: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -170.648375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.648375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.802452 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.420
local terms energy: -55.721099
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -11.089
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: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -168.257784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.257784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.350355 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.026
local terms energy: -51.115401
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -10.428
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: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -159.914697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.914697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.973370 (E_RNA)
where:
Base-Base interactions energy: -110.758
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.054
local terms energy: -49.161431
where:
bonds (distance) C4'-P energy: -8.641
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -11.712
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: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -196.944198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.944198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.944198 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.008
local terms energy: -65.783199
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.458
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -190.030988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.030988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.040255 (E_RNA)
where:
Base-Base interactions energy: -130.560
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.012
local terms energy: -59.467911
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -15.847
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: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -185.659653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.659653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.659809 (E_RNA)
where:
Base-Base interactions energy: -131.341
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.015
local terms energy: -54.304419
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -13.944
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -178.789099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.789099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.809513 (E_RNA)
where:
Base-Base interactions energy: -121.649
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.431
local terms energy: -56.729317
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -13.496
Dist. restrs. and SS energy: 0.020 (S_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: 453
Temperature: 1.100000
Total energy: -170.009961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.009961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.111968 (E_RNA)
where:
Base-Base interactions energy: -116.473
where: short stacking energy: -51.132
Base-Backbone interact. energy: 0.002
local terms energy: -53.640923
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -12.213
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: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -185.642856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.642856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.667402 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.000
local terms energy: -57.748877
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -14.248
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: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -179.388406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.388406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.428058 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.158
local terms energy: -54.999797
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -9.594
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: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -165.198370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.343251 (E_RNA)
where:
Base-Base interactions energy: -114.715
where: short stacking energy: -47.010
Base-Backbone interact. energy: -0.119
local terms energy: -50.509126
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.517
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: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -177.338658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.482902 (E_RNA)
where:
Base-Base interactions energy: -120.845
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.011
local terms energy: -56.626805
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.983
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: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -162.796778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.796778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.945955 (E_RNA)
where:
Base-Base interactions energy: -114.539
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.107
local terms energy: -48.300463
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -5.713
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -11.699
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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -193.292303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.292303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299582 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.029
local terms energy: -64.913135
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -17.062
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -186.713827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.713827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.739786 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -54.470
Base-Backbone interact. energy: -1.015
local terms energy: -61.120260
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.979
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -180.476643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.476643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.478954 (E_RNA)
where:
Base-Base interactions energy: -123.642
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.002
local terms energy: -56.834895
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -175.583886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.583886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.583886 (E_RNA)
where:
Base-Base interactions energy: -117.613
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.021
local terms energy: -57.950565
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -11.373
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: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -187.504183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.504183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.598172 (E_RNA)
where:
Base-Base interactions energy: -125.417
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.006
local terms energy: -62.175719
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -14.003
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -181.668515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.668515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.668515 (E_RNA)
where:
Base-Base interactions energy: -124.395
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.203
local terms energy: -57.071017
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.163
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: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -177.523048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.523048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.560190 (E_RNA)
where:
Base-Base interactions energy: -127.556
where: short stacking energy: -49.142
Base-Backbone interact. energy: -0.352
local terms energy: -49.652768
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -10.152
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: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -175.894579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.894579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901569 (E_RNA)
where:
Base-Base interactions energy: -122.684
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.007
local terms energy: -53.210554
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -8.938
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -16.040
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: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -171.640788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.640788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.660115 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -48.656
Base-Backbone interact. energy: -0.000
local terms energy: -54.904306
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -16.175
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: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -161.009764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.059575 (E_RNA)
where:
Base-Base interactions energy: -110.097
where: short stacking energy: -44.971
Base-Backbone interact. energy: -0.052
local terms energy: -50.910892
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -7.604
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: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -195.734064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.734064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.901045 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.001
local terms energy: -62.973545
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -17.639
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: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -186.545345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.545345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.567275 (E_RNA)
where:
Base-Base interactions energy: -125.042
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.001
local terms energy: -61.524400
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -15.216
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: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -191.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.012147 (E_RNA)
where:
Base-Base interactions energy: -132.952
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.733
local terms energy: -57.326555
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.578
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -15.572
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: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -191.374390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.374390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377630 (E_RNA)
where:
Base-Base interactions energy: -132.042
where: short stacking energy: -59.512
Base-Backbone interact. energy: -0.009
local terms energy: -59.326514
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -13.521
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -189.241899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.361562 (E_RNA)
where:
Base-Base interactions energy: -127.109
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.019
local terms energy: -62.233292
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -15.893
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: 455
Temperature: 1.150000
Total energy: -178.709704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.709704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.727826 (E_RNA)
where:
Base-Base interactions energy: -123.329
where: short stacking energy: -55.605
Base-Backbone interact. energy: -0.026
local terms energy: -55.372929
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -14.309
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: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -185.591059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.591059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.635778 (E_RNA)
where:
Base-Base interactions energy: -125.765
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.001
local terms energy: -59.869375
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -14.404
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: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -167.274972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.274972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.330763 (E_RNA)
where:
Base-Base interactions energy: -114.635
where: short stacking energy: -43.486
Base-Backbone interact. energy: -0.032
local terms energy: -52.663542
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -10.101
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: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -161.138718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.138718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.252916 (E_RNA)
where:
Base-Base interactions energy: -113.206
where: short stacking energy: -47.444
Base-Backbone interact. energy: -0.089
local terms energy: -47.957693
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -8.526
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: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -165.051864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.051864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.130778 (E_RNA)
where:
Base-Base interactions energy: -112.556
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.028
local terms energy: -52.547304
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -14.896
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: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -184.918991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.918991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936772 (E_RNA)
where:
Base-Base interactions energy: -125.179
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.058
local terms energy: -59.699367
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -14.291
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: 456
Temperature: 0.950000
Total energy: -194.404609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.404609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.515882 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.002
local terms energy: -61.286932
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -14.565
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: 456
Temperature: 1.000000
Total energy: -190.616919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.616919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.616919 (E_RNA)
where:
Base-Base interactions energy: -130.253
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.000
local terms energy: -60.363535
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -16.713
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -185.665258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.665258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.780174 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.008
local terms energy: -54.769011
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -11.768
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: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -179.168137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.275559 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.208
local terms energy: -57.168312
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -13.317
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: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -179.936624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.936624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.091068 (E_RNA)
where:
Base-Base interactions energy: -121.481
where: short stacking energy: -51.108
Base-Backbone interact. energy: -0.025
local terms energy: -58.584704
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -14.246
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: 456
Temperature: 1.200000
Total energy: -173.038587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.038587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.117105 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.021
local terms energy: -53.670116
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -14.926
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: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -171.468018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.468018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.492833 (E_RNA)
where:
Base-Base interactions energy: -120.114
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.008
local terms energy: -51.370167
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -11.235
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: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -171.250538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.250538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.339762 (E_RNA)
where:
Base-Base interactions energy: -117.041
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.021
local terms energy: -54.276849
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -14.827
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: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -162.704239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.704239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.748804 (E_RNA)
where:
Base-Base interactions energy: -113.287
where: short stacking energy: -42.452
Base-Backbone interact. energy: -0.221
local terms energy: -49.240283
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -14.021
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: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -194.835317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.835317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.845304 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.328
local terms energy: -62.771480
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -13.334
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: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -189.821580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.821580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.843622 (E_RNA)
where:
Base-Base interactions energy: -131.419
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.246
local terms energy: -58.178770
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -15.005
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: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -186.582086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.582086 (E_RNA)
where:
Base-Base interactions energy: -131.871
where: short stacking energy: -60.724
Base-Backbone interact. energy: -0.078
local terms energy: -54.632649
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -14.308
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -189.273190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.273190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.273190 (E_RNA)
where:
Base-Base interactions energy: -130.948
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.002
local terms energy: -58.323526
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -187.711186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.711186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.747530 (E_RNA)
where:
Base-Base interactions energy: -132.578
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.009
local terms energy: -55.160227
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -11.885
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: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -181.978330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.978330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.153557 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.016
local terms energy: -60.855502
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -11.659
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: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -172.792773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.792773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.810458 (E_RNA)
where:
Base-Base interactions energy: -127.730
where: short stacking energy: -58.559
Base-Backbone interact. energy: -0.025
local terms energy: -45.055037
where:
bonds (distance) C4'-P energy: -4.836
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -11.147
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -169.259170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.259170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.471697 (E_RNA)
where:
Base-Base interactions energy: -115.876
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.018
local terms energy: -53.577726
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -12.659
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: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -168.970065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.970065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.015078 (E_RNA)
where:
Base-Base interactions energy: -120.696
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.098
local terms energy: -48.221643
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -7.414
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -10.965
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: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -167.696981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.696981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.845840 (E_RNA)
where:
Base-Base interactions energy: -119.329
where: short stacking energy: -52.528
Base-Backbone interact. energy: -0.002
local terms energy: -48.514804
where:
bonds (distance) C4'-P energy: -4.058
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -13.734
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: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -195.704336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.704336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.711421 (E_RNA)
where:
Base-Base interactions energy: -132.398
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.009
local terms energy: -63.304494
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -17.221
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: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -190.663595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.663595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.730452 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -54.531
Base-Backbone interact. energy: -1.316
local terms energy: -54.044165
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -12.493
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: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -182.501685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.501685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.554787 (E_RNA)
where:
Base-Base interactions energy: -126.913
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.402
local terms energy: -55.239565
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -12.198
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: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -183.715231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.715231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.725963 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -55.386
Base-Backbone interact. energy: -0.007
local terms energy: -54.725307
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -12.376
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: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -186.717817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.717817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.727295 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.000
local terms energy: -56.817353
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.361
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: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -171.713191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.713191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.756831 (E_RNA)
where:
Base-Base interactions energy: -123.401
where: short stacking energy: -46.091
Base-Backbone interact. energy: -0.574
local terms energy: -47.781684
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -2.049
tors. eta vs tors. theta energy: -10.290
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: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -169.715679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.715679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.874255 (E_RNA)
where:
Base-Base interactions energy: -118.801
where: short stacking energy: -45.741
Base-Backbone interact. energy: -0.099
local terms energy: -50.973543
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -10.755
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: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -171.557932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.557932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.687237 (E_RNA)
where:
Base-Base interactions energy: -122.467
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.000
local terms energy: -49.219995
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -13.261
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: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -164.729976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.729976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.060100 (E_RNA)
where:
Base-Base interactions energy: -114.689
where: short stacking energy: -55.543
Base-Backbone interact. energy: -0.027
local terms energy: -50.344347
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -12.389
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: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -170.271992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.317352 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.024
local terms energy: -56.632737
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -14.142
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: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -195.421484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.421484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.425472 (E_RNA)
where:
Base-Base interactions energy: -132.705
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.001
local terms energy: -62.719382
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -16.495
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: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -182.599319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.599319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.628555 (E_RNA)
where:
Base-Base interactions energy: -126.387
where: short stacking energy: -55.967
Base-Backbone interact. energy: -0.061
local terms energy: -56.181125
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -12.732
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: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -188.434562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.434562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.450318 (E_RNA)
where:
Base-Base interactions energy: -133.034
where: short stacking energy: -49.724
Base-Backbone interact. energy: -0.721
local terms energy: -54.695240
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.678
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: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -184.483745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.515319 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.019
local terms energy: -52.883756
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -2.168
tors. eta vs tors. theta energy: -14.578
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: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -181.681332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.681332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.697683 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.031
local terms energy: -51.519426
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -16.456
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: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -172.926750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.926750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.935826 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.165
local terms energy: -47.983256
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -13.554
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: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -170.238323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.238323 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.008
local terms energy: -49.651544
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -7.316
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -160.978449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.978449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.096091 (E_RNA)
where:
Base-Base interactions energy: -111.940
where: short stacking energy: -47.711
Base-Backbone interact. energy: -0.390
local terms energy: -48.765963
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -10.262
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -172.369842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.369842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.390375 (E_RNA)
where:
Base-Base interactions energy: -117.241
where: short stacking energy: -51.209
Base-Backbone interact. energy: -0.015
local terms energy: -55.134109
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -6.927
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.212
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: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -165.329046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.441916 (E_RNA)
where:
Base-Base interactions energy: -114.811
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.053
local terms energy: -50.578095
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -15.600
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: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -190.612091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.612091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.713775 (E_RNA)
where:
Base-Base interactions energy: -133.410
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.005
local terms energy: -57.297931
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -16.273
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: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -191.208772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.208772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.210238 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.009
local terms energy: -62.950346
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -18.579
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: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -183.977869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.977869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.057044 (E_RNA)
where:
Base-Base interactions energy: -127.943
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.065
local terms energy: -56.048863
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -12.011
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: 460
Temperature: 1.050000
Total energy: -188.630500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.630500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.661014 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -60.239
Base-Backbone interact. energy: -0.004
local terms energy: -61.961091
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -15.859
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: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -179.603487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.603487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.613787 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -50.260
Base-Backbone interact. energy: -0.000
local terms energy: -58.701627
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -16.173
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: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -178.363158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.363158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.410478 (E_RNA)
where:
Base-Base interactions energy: -122.819
where: short stacking energy: -54.721
Base-Backbone interact. energy: -0.000
local terms energy: -55.590925
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -12.248
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: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -164.291400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.291400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.291400 (E_RNA)
where:
Base-Base interactions energy: -108.426
where: short stacking energy: -44.208
Base-Backbone interact. energy: -0.100
local terms energy: -55.764823
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -173.546710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.546710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577313 (E_RNA)
where:
Base-Base interactions energy: -114.381
where: short stacking energy: -48.878
Base-Backbone interact. energy: -0.002
local terms energy: -59.194356
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -14.381
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: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -163.239572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.239572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.485251 (E_RNA)
where:
Base-Base interactions energy: -117.323
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.091
local terms energy: -46.071582
where:
bonds (distance) C4'-P energy: -6.673
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -8.034
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -12.490
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: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -157.034182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.285952 (E_RNA)
where:
Base-Base interactions energy: -104.110
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.345
local terms energy: -52.830954
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -10.740
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -187.159065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.159065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.322403 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.032
local terms energy: -61.434641
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -13.895
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -191.653771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.653771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.653771 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.001
local terms energy: -64.472836
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -18.072
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: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -186.782875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.782875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820002 (E_RNA)
where:
Base-Base interactions energy: -129.367
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.003
local terms energy: -57.450421
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -13.576
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: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -188.946383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.946383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.946383 (E_RNA)
where:
Base-Base interactions energy: -127.065
where: short stacking energy: -56.694
Base-Backbone interact. energy: -0.057
local terms energy: -61.825171
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -15.736
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: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -181.612145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.612145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.855966 (E_RNA)
where:
Base-Base interactions energy: -121.732
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.287
local terms energy: -59.836394
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.229
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: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -170.939769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.939769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.990017 (E_RNA)
where:
Base-Base interactions energy: -116.691
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.135
local terms energy: -54.163922
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -10.626
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: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -175.636960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.636960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.710174 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.325
local terms energy: -58.779938
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -13.923
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: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -162.260119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.260119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.429824 (E_RNA)
where:
Base-Base interactions energy: -109.201
where: short stacking energy: -43.917
Base-Backbone interact. energy: 0.097
local terms energy: -53.325351
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -11.013
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: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -178.060337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.060337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.250147 (E_RNA)
where:
Base-Base interactions energy: -121.570
where: short stacking energy: -55.333
Base-Backbone interact. energy: 0.970
local terms energy: -57.650142
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -13.226
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: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -159.714811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.714811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.881961 (E_RNA)
where:
Base-Base interactions energy: -109.830
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.605
local terms energy: -49.447021
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -8.604
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -10.908
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: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -195.478133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.478133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.588211 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.002
local terms energy: -59.013210
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -7.779
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -16.931
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -187.429517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.429517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.429517 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.019
local terms energy: -56.199348
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -13.652
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -194.648032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.648032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.669190 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.028
local terms energy: -64.812852
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -16.337
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -183.148421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.148421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152029 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.002
local terms energy: -51.827081
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -14.688
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: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -180.378448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.378448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.433534 (E_RNA)
where:
Base-Base interactions energy: -122.852
where: short stacking energy: -59.755
Base-Backbone interact. energy: -0.055
local terms energy: -57.526170
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -15.870
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: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -183.400112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.400112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.481050 (E_RNA)
where:
Base-Base interactions energy: -128.463
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.002
local terms energy: -55.015544
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -15.623
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: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -174.029443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.029443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.029443 (E_RNA)
where:
Base-Base interactions energy: -124.255
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.006
local terms energy: -49.768293
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -174.096094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.096094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187877 (E_RNA)
where:
Base-Base interactions energy: -120.845
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.022
local terms energy: -53.321521
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -14.957
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: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -155.875594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.875594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.994499 (E_RNA)
where:
Base-Base interactions energy: -102.206
where: short stacking energy: -40.113
Base-Backbone interact. energy: -0.236
local terms energy: -53.552310
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -8.578
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: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -160.726819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.726819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.872555 (E_RNA)
where:
Base-Base interactions energy: -114.334
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.025
local terms energy: -46.513660
where:
bonds (distance) C4'-P energy: -5.763
bonds (distance) P-C4' energy: -8.637
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -11.781
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: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -198.392216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.392216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.404320 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.000
local terms energy: -66.692501
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -17.689
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: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -187.399808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.399808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.399808 (E_RNA)
where:
Base-Base interactions energy: -126.148
where: short stacking energy: -51.750
Base-Backbone interact. energy: -0.040
local terms energy: -61.212059
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.138
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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -189.064545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.064545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.097471 (E_RNA)
where:
Base-Base interactions energy: -129.534
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.004
local terms energy: -59.558716
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -10.955
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: 463
Temperature: 1.050000
Total energy: -185.637694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.637694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655641 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -59.592
Base-Backbone interact. energy: -0.008
local terms energy: -57.234082
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -16.806
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: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -180.808168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.808168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.858561 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.216
local terms energy: -57.676621
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -17.464
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: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -181.590034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.590034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.634744 (E_RNA)
where:
Base-Base interactions energy: -127.352
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.018
local terms energy: -54.264265
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -17.964
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: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -179.777756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.777756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.793384 (E_RNA)
where:
Base-Base interactions energy: -122.134
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.056
local terms energy: -57.603430
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -12.746
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -169.909768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.909768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.965763 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -52.756
Base-Backbone interact. energy: 1.529
local terms energy: -52.909767
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -13.041
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: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -166.257170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.257170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.321778 (E_RNA)
where:
Base-Base interactions energy: -120.778
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.025
local terms energy: -45.518889
where:
bonds (distance) C4'-P energy: -4.102
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -10.033
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: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -165.788196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.824351 (E_RNA)
where:
Base-Base interactions energy: -115.642
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.077
local terms energy: -50.105470
where:
bonds (distance) C4'-P energy: -6.744
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -10.375
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: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -195.941290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.941290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.941290 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.001
local terms energy: -58.877372
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.344
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: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -188.221716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.221716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.238571 (E_RNA)
where:
Base-Base interactions energy: -130.760
where: short stacking energy: -62.026
Base-Backbone interact. energy: -0.001
local terms energy: -57.477330
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -15.198
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: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -186.157796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.157796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.247366 (E_RNA)
where:
Base-Base interactions energy: -129.051
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.006
local terms energy: -57.190650
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -14.707
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: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -186.015153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015153 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -61.163
Base-Backbone interact. energy: -0.030
local terms energy: -53.841347
where:
bonds (distance) C4'-P energy: -6.440
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -14.973
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -183.260091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.260091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.337237 (E_RNA)
where:
Base-Base interactions energy: -125.481
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.074
local terms energy: -57.782764
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -15.197
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: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -176.754576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.839744 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.013
local terms energy: -48.943323
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -4.935
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -13.191
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: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -188.539632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539632 (E_RNA)
where:
Base-Base interactions energy: -130.988
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.066
local terms energy: -57.485576
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -171.470278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.470278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.616718 (E_RNA)
where:
Base-Base interactions energy: -119.055
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.000
local terms energy: -52.561291
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -11.753
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: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -162.285094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.285094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.306551 (E_RNA)
where:
Base-Base interactions energy: -117.461
where: short stacking energy: -47.232
Base-Backbone interact. energy: -0.461
local terms energy: -44.384589
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -7.660
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: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -157.590062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.590062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.758127 (E_RNA)
where:
Base-Base interactions energy: -109.359
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.623
local terms energy: -47.777055
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -10.246
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: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -200.563745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.563745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.582811 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.345
local terms energy: -66.483019
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -16.288
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: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -186.819726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.819726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.834956 (E_RNA)
where:
Base-Base interactions energy: -125.765
where: short stacking energy: -60.204
Base-Backbone interact. energy: -0.133
local terms energy: -60.936390
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.026
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -181.399172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.429726 (E_RNA)
where:
Base-Base interactions energy: -124.277
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.001
local terms energy: -57.151364
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -13.536
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: 465
Temperature: 1.050000
Total energy: -182.955031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.223049 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.101
local terms energy: -57.709436
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -16.255
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -182.559772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.559772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.649176 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.030
local terms energy: -56.622883
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -16.548
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: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -179.537208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.537208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.628516 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -52.356
Base-Backbone interact. energy: -0.009
local terms energy: -53.734259
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -13.418
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: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -181.751102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.767498 (E_RNA)
where:
Base-Base interactions energy: -117.831
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.040
local terms energy: -63.896128
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.431
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: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -174.205502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.205502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.416271 (E_RNA)
where:
Base-Base interactions energy: -119.540
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.403
local terms energy: -54.472367
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -12.953
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -164.187897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.187897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.332372 (E_RNA)
where:
Base-Base interactions energy: -111.027
where: short stacking energy: -48.693
Base-Backbone interact. energy: 2.292
local terms energy: -55.596857
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -12.836
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: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -162.927041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.927041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.930338 (E_RNA)
where:
Base-Base interactions energy: -119.602
where: short stacking energy: -47.337
Base-Backbone interact. energy: -0.096
local terms energy: -43.232774
where:
bonds (distance) C4'-P energy: -4.717
bonds (distance) P-C4' energy: -7.822
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -11.943
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: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -195.408534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.408534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.415081 (E_RNA)
where:
Base-Base interactions energy: -131.421
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.004
local terms energy: -63.989975
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -14.339
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: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -190.933344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.933344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.947226 (E_RNA)
where:
Base-Base interactions energy: -127.332
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.013
local terms energy: -63.602457
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -16.218
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: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -189.164493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.164493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164978 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.114
local terms energy: -55.690558
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -15.513
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: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -189.585393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.585393 (E_RNA)
where:
Base-Base interactions energy: -128.576
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.002
local terms energy: -61.007664
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -14.348
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: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -187.473776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.473776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516577 (E_RNA)
where:
Base-Base interactions energy: -133.522
where: short stacking energy: -61.992
Base-Backbone interact. energy: 0.161
local terms energy: -54.155857
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -14.801
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: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -180.054970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.054970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.181261 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.003
local terms energy: -53.633135
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -15.836
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: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -176.889412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.889412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.976178 (E_RNA)
where:
Base-Base interactions energy: -119.259
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.008
local terms energy: -57.709689
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -13.725
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: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -169.751099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.751099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.751099 (E_RNA)
where:
Base-Base interactions energy: -119.887
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.291
local terms energy: -49.573555
where:
bonds (distance) C4'-P energy: -5.717
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -159.963697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.963697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.173791 (E_RNA)
where:
Base-Base interactions energy: -109.826
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.076
local terms energy: -50.272486
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -9.590
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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -173.107108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429953 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.045
local terms energy: -56.567422
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -10.421
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: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -189.613323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.613323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.616048 (E_RNA)
where:
Base-Base interactions energy: -132.161
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.041
local terms energy: -57.414252
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -13.064
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: 467
Temperature: 0.950000
Total energy: -192.913448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.945167 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.017
local terms energy: -60.468948
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -16.691
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: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -188.308691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.308691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.381777 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.029
local terms energy: -58.376474
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -13.304
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: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -193.607379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.607379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.633525 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.019
local terms energy: -62.432046
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -18.291
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: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -185.310460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.310460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.330672 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.025
local terms energy: -61.191782
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -183.830526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.830526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982649 (E_RNA)
where:
Base-Base interactions energy: -126.018
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.008
local terms energy: -57.955913
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.324
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: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -169.145816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.145816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.218149 (E_RNA)
where:
Base-Base interactions energy: -123.645
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.030
local terms energy: -45.543218
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -3.423
tors. eta vs tors. theta energy: -10.447
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: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -179.057353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.057353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.084508 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -54.929
Base-Backbone interact. energy: 0.327
local terms energy: -52.369773
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -7.995
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -13.113
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: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -169.078897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.078897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.083125 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.000
local terms energy: -49.078885
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -8.521
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -15.536
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -165.797840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.797840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.216787 (E_RNA)
where:
Base-Base interactions energy: -114.345
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.005
local terms energy: -51.866401
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -9.850
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -194.024576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.024576 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.014
local terms energy: -60.727092
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -14.565
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -188.874029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.953431 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.004
local terms energy: -58.882498
where:
bonds (distance) C4'-P energy: -8.665
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -14.621
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: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -187.438939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.438939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.660069 (E_RNA)
where:
Base-Base interactions energy: -130.906
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.043
local terms energy: -56.711751
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -14.980
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: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -186.035856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.035856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.091362 (E_RNA)
where:
Base-Base interactions energy: -129.047
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.022
local terms energy: -57.021987
where:
bonds (distance) C4'-P energy: -9.770
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.436
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: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -177.691590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.691590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775785 (E_RNA)
where:
Base-Base interactions energy: -121.410
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.004
local terms energy: -56.362050
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -11.825
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: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -181.923717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.948864 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.022
local terms energy: -56.405038
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -12.288
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -176.128214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.128214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.289917 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.107
local terms energy: -58.514344
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.989
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: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -174.005516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.005516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.143240 (E_RNA)
where:
Base-Base interactions energy: -120.712
where: short stacking energy: -52.773
Base-Backbone interact. energy: 0.127
local terms energy: -53.558227
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -15.438
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: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -166.535683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.535683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.546451 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.104
local terms energy: -47.127859
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -9.234
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: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -158.747593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.857142 (E_RNA)
where:
Base-Base interactions energy: -110.187
where: short stacking energy: -46.450
Base-Backbone interact. energy: -0.027
local terms energy: -48.643264
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -10.960
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: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -194.093010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.093010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.093010 (E_RNA)
where:
Base-Base interactions energy: -130.593
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.014
local terms energy: -63.486426
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -17.557
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: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -192.978206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.978206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.978206 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -59.533
Base-Backbone interact. energy: 0.423
local terms energy: -61.839991
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -16.766
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: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -187.245339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.245339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.307082 (E_RNA)
where:
Base-Base interactions energy: -128.683
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.013
local terms energy: -58.611706
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -16.278
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -185.973943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.973943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.996383 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.156
local terms energy: -57.999410
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -15.480
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: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -187.300833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.300833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.307235 (E_RNA)
where:
Base-Base interactions energy: -130.850
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.042
local terms energy: -56.415535
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -13.257
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: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -186.009514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.009514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.031868 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -50.950
Base-Backbone interact. energy: -1.006
local terms energy: -64.743988
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -14.911
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: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -179.336979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.336979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.336979 (E_RNA)
where:
Base-Base interactions energy: -124.836
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.005
local terms energy: -54.496559
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -162.692699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.692699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.012063 (E_RNA)
where:
Base-Base interactions energy: -111.999
where: short stacking energy: -40.889
Base-Backbone interact. energy: -0.438
local terms energy: -50.575509
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -9.150
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: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -170.505979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.505979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.658811 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.000
local terms energy: -54.996427
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -16.378
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: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -157.534590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.534590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.662189 (E_RNA)
where:
Base-Base interactions energy: -111.834
where: short stacking energy: -43.715
Base-Backbone interact. energy: 0.682
local terms energy: -46.509451
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -8.492
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -192.453671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.453671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.453671 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.001
local terms energy: -63.511559
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -14.392
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: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -191.549377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549377 (E_RNA)
where:
Base-Base interactions energy: -130.575
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.001
local terms energy: -60.973342
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -17.201
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: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -190.010576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.010576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120228 (E_RNA)
where:
Base-Base interactions energy: -126.451
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.001
local terms energy: -63.668845
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -17.533
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: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -188.659221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.659221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.659221 (E_RNA)
where:
Base-Base interactions energy: -129.432
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.020
local terms energy: -59.206666
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -15.837
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: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -184.521124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.521124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.692389 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.057
local terms energy: -54.648995
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -14.403
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: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -191.814344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.814344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.835767 (E_RNA)
where:
Base-Base interactions energy: -131.040
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.001
local terms energy: -60.795161
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.406
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: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -176.043250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043250 (E_RNA)
where:
Base-Base interactions energy: -117.616
where: short stacking energy: -57.028
Base-Backbone interact. energy: -0.039
local terms energy: -58.387432
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -175.512126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.512126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.619689 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.003
local terms energy: -57.925886
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -14.377
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: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -169.360536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.360536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.360536 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -50.094
Base-Backbone interact. energy: -0.001
local terms energy: -50.219104
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -164.173539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.173539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.173539 (E_RNA)
where:
Base-Base interactions energy: -116.256
where: short stacking energy: -44.397
Base-Backbone interact. energy: 0.149
local terms energy: -48.066650
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -194.017468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115666 (E_RNA)
where:
Base-Base interactions energy: -129.269
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.019
local terms energy: -64.827169
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -16.749
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: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -191.206702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.206702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.221551 (E_RNA)
where:
Base-Base interactions energy: -132.982
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.000
local terms energy: -58.239051
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -14.722
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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -191.674557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.674557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.748173 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.003
local terms energy: -57.433152
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -12.670
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: 471
Temperature: 1.050000
Total energy: -185.125592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.125592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134815 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -54.472
Base-Backbone interact. energy: -0.192
local terms energy: -52.703560
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -12.662
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: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -184.711761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.711761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.711761 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.020
local terms energy: -56.863250
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -177.599311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.599311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.776934 (E_RNA)
where:
Base-Base interactions energy: -123.112
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.000
local terms energy: -54.664900
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -14.572
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: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -168.364609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.364609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.484587 (E_RNA)
where:
Base-Base interactions energy: -110.429
where: short stacking energy: -45.197
Base-Backbone interact. energy: -0.031
local terms energy: -58.023997
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -12.362
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: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -179.287154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.287154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.565172 (E_RNA)
where:
Base-Base interactions energy: -125.363
where: short stacking energy: -60.950
Base-Backbone interact. energy: -0.050
local terms energy: -54.152484
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -13.596
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: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -168.649419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.649419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.653957 (E_RNA)
where:
Base-Base interactions energy: -127.217
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.041
local terms energy: -41.395212
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -12.438
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: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -171.156691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.156691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.344147 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -47.616
Base-Backbone interact. energy: -0.156
local terms energy: -49.679227
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -11.754
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: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -192.148777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.148777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180079 (E_RNA)
where:
Base-Base interactions energy: -130.824
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.004
local terms energy: -61.352178
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.286
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -195.220382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.250593 (E_RNA)
where:
Base-Base interactions energy: -134.736
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.000
local terms energy: -60.514189
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -16.084
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -186.006665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.006665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.036343 (E_RNA)
where:
Base-Base interactions energy: -123.733
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.000
local terms energy: -62.303685
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -15.911
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: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -183.429246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.456030 (E_RNA)
where:
Base-Base interactions energy: -125.204
where: short stacking energy: -51.324
Base-Backbone interact. energy: -0.000
local terms energy: -58.251674
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -13.964
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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -182.215899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.215899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215899 (E_RNA)
where:
Base-Base interactions energy: -124.014
where: short stacking energy: -56.189
Base-Backbone interact. energy: -0.033
local terms energy: -58.169525
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -189.482545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.482545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.661343 (E_RNA)
where:
Base-Base interactions energy: -126.454
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.000
local terms energy: -63.207288
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -16.517
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: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -178.756693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.756693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.832522 (E_RNA)
where:
Base-Base interactions energy: -120.654
where: short stacking energy: -52.582
Base-Backbone interact. energy: -0.001
local terms energy: -58.177472
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -17.129
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: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -169.714293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.714293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.824883 (E_RNA)
where:
Base-Base interactions energy: -122.408
where: short stacking energy: -54.840
Base-Backbone interact. energy: -0.087
local terms energy: -47.329762
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -13.804
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: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -164.298087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.298087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376808 (E_RNA)
where:
Base-Base interactions energy: -112.416
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.108
local terms energy: -51.853532
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -9.057
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: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -164.891660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.891660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.922709 (E_RNA)
where:
Base-Base interactions energy: -114.414
where: short stacking energy: -46.445
Base-Backbone interact. energy: -0.000
local terms energy: -50.508037
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -10.784
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: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -195.844035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.844035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.886294 (E_RNA)
where:
Base-Base interactions energy: -130.499
where: short stacking energy: -58.945
Base-Backbone interact. energy: 0.311
local terms energy: -65.698857
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -15.765
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: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -194.798020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.798020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.919079 (E_RNA)
where:
Base-Base interactions energy: -133.569
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.001
local terms energy: -61.349246
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -12.359
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: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -184.094663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.094663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.094663 (E_RNA)
where:
Base-Base interactions energy: -123.586
where: short stacking energy: -53.781
Base-Backbone interact. energy: -0.002
local terms energy: -60.506583
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -14.138
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: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -182.512824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.512824 (E_RNA)
where:
Base-Base interactions energy: -126.543
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.095
local terms energy: -55.874776
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -12.202
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -173.584345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635287 (E_RNA)
where:
Base-Base interactions energy: -122.641
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.049
local terms energy: -50.944341
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -10.125
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: 473
Temperature: 1.150000
Total energy: -180.987672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.987672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.006496 (E_RNA)
where:
Base-Base interactions energy: -125.748
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.022
local terms energy: -55.235645
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -13.321
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: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -173.106405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.106405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.323403 (E_RNA)
where:
Base-Base interactions energy: -123.881
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.282
local terms energy: -49.160676
where:
bonds (distance) C4'-P energy: -6.429
bonds (distance) P-C4' energy: -6.463
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -15.216
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: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -167.583036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.583036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.619022 (E_RNA)
where:
Base-Base interactions energy: -114.521
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.259
local terms energy: -52.838648
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -7.844
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -10.177
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: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -166.511175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.511175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.575758 (E_RNA)
where:
Base-Base interactions energy: -118.265
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.001
local terms energy: -48.310206
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -10.045
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: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -166.897622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.915428 (E_RNA)
where:
Base-Base interactions energy: -117.401
where: short stacking energy: -48.794
Base-Backbone interact. energy: -0.001
local terms energy: -49.512867
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -11.772
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: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -185.765346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.765346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.796868 (E_RNA)
where:
Base-Base interactions energy: -129.618
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.001
local terms energy: -56.177122
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -9.648
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: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -185.967742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.967742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.967742 (E_RNA)
where:
Base-Base interactions energy: -123.593
where: short stacking energy: -52.129
Base-Backbone interact. energy: -0.050
local terms energy: -62.324653
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -187.598434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.598434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601372 (E_RNA)
where:
Base-Base interactions energy: -126.773
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.653
local terms energy: -60.175974
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -13.198
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: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -181.344374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.344374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.360935 (E_RNA)
where:
Base-Base interactions energy: -128.989
where: short stacking energy: -57.413
Base-Backbone interact. energy: -1.031
local terms energy: -51.340494
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -13.119
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: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -181.928977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.928977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.948422 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -57.941
Base-Backbone interact. energy: -0.065
local terms energy: -56.894098
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -13.459
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: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -184.323976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.323976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.332644 (E_RNA)
where:
Base-Base interactions energy: -130.030
where: short stacking energy: -59.284
Base-Backbone interact. energy: -0.002
local terms energy: -54.300977
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -14.132
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: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -181.319506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.319506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.338034 (E_RNA)
where:
Base-Base interactions energy: -125.951
where: short stacking energy: -49.989
Base-Backbone interact. energy: -0.176
local terms energy: -55.211014
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -11.094
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -166.862081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.862081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.197491 (E_RNA)
where:
Base-Base interactions energy: -120.778
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.153
local terms energy: -46.266806
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -5.608
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -11.430
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: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -166.581936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.581936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.601274 (E_RNA)
where:
Base-Base interactions energy: -112.519
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.134
local terms energy: -53.948401
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -11.814
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -161.088839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.088839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.169361 (E_RNA)
where:
Base-Base interactions energy: -112.534
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.628
local terms energy: -48.006964
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -6.646
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -8.861
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: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -191.148191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.148191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238775 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.016
local terms energy: -60.573533
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.042
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -187.569239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.569239 (E_RNA)
where:
Base-Base interactions energy: -129.892
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.001
local terms energy: -57.675962
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -186.002301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.002301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.010518 (E_RNA)
where:
Base-Base interactions energy: -131.548
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.098
local terms energy: -54.364667
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -15.312
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: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -180.674312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.674312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.747502 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -48.799
Base-Backbone interact. energy: -0.011
local terms energy: -49.993825
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -1.689
tors. eta vs tors. theta energy: -13.879
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: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -182.606699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626885 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.288
local terms energy: -59.393857
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -181.802993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.802993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.827767 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.002
local terms energy: -55.950819
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -7.897
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -16.068
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: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -173.139206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175894 (E_RNA)
where:
Base-Base interactions energy: -120.818
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.102
local terms energy: -52.256508
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -12.380
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: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -174.226916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.226916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.462622 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.002
local terms energy: -52.821637
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -14.600
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: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -161.352739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.352739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.619489 (E_RNA)
where:
Base-Base interactions energy: -107.182
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.057
local terms energy: -54.379988
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -10.641
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: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -169.360393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.360393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.851275 (E_RNA)
where:
Base-Base interactions energy: -112.858
where: short stacking energy: -48.888
Base-Backbone interact. energy: -0.000
local terms energy: -56.993234
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -13.669
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -197.121003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.121003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.154511 (E_RNA)
where:
Base-Base interactions energy: -131.263
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.018
local terms energy: -65.874248
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -15.133
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: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -182.078330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.078330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.078330 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.091
local terms energy: -53.412528
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -10.490
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -183.983037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.983037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.202357 (E_RNA)
where:
Base-Base interactions energy: -126.413
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.002
local terms energy: -57.787711
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -15.867
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: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -183.979051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979051 (E_RNA)
where:
Base-Base interactions energy: -133.261
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.927
local terms energy: -49.790568
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -12.550
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: 476
Temperature: 1.100000
Total energy: -180.608800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.608800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.608800 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.090
local terms energy: -56.489817
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -184.848907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.848907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.957128 (E_RNA)
where:
Base-Base interactions energy: -126.454
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.541
local terms energy: -57.961658
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -16.301
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: 476
Temperature: 1.200000
Total energy: -175.887254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.887254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911019 (E_RNA)
where:
Base-Base interactions energy: -117.143
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.000
local terms energy: -58.768234
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -15.004
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -176.171723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.171723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.225933 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -52.071
Base-Backbone interact. energy: -0.007
local terms energy: -57.750672
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -14.791
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: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -171.309330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.309330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.365310 (E_RNA)
where:
Base-Base interactions energy: -119.102
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.069
local terms energy: -52.194296
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -14.117
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: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -159.201359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.201359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.319157 (E_RNA)
where:
Base-Base interactions energy: -108.161
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.040
local terms energy: -51.117883
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -7.263
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: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -192.537697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.537697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.537697 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.489
local terms energy: -61.447781
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -14.016
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: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -188.940044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.940044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.940044 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -62.805
Base-Backbone interact. energy: -0.038
local terms energy: -59.215434
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -14.878
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -184.922631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.922631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.928440 (E_RNA)
where:
Base-Base interactions energy: -129.833
where: short stacking energy: -53.871
Base-Backbone interact. energy: 0.351
local terms energy: -55.446155
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -13.988
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: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -183.000077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.000077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.076789 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.042
local terms energy: -56.507510
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -10.819
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: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -182.457308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.457308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.457308 (E_RNA)
where:
Base-Base interactions energy: -129.384
where: short stacking energy: -47.161
Base-Backbone interact. energy: -0.406
local terms energy: -52.666743
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -179.668379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.668379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.710928 (E_RNA)
where:
Base-Base interactions energy: -124.609
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.000
local terms energy: -55.101767
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -6.019
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -15.559
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: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -171.645709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.645709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.780917 (E_RNA)
where:
Base-Base interactions energy: -113.332
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.066
local terms energy: -58.382765
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -12.346
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: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -169.851761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.851761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.851761 (E_RNA)
where:
Base-Base interactions energy: -111.888
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.279
local terms energy: -57.684073
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -167.381336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.381336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.542219 (E_RNA)
where:
Base-Base interactions energy: -114.897
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.086
local terms energy: -52.559718
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -7.545
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -11.561
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: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -169.771675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.771675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.870836 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.106
local terms energy: -49.189638
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -13.106
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -203.286672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.286672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288516 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.001
local terms energy: -64.019735
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -184.405820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.405820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.456910 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -61.340
Base-Backbone interact. energy: -0.000
local terms energy: -52.626120
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -9.663
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -14.232
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -188.463156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.463156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463156 (E_RNA)
where:
Base-Base interactions energy: -129.352
where: short stacking energy: -56.017
Base-Backbone interact. energy: 0.451
local terms energy: -59.561548
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -13.306
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -188.929019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.929019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.990288 (E_RNA)
where:
Base-Base interactions energy: -130.855
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.004
local terms energy: -58.131701
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -15.697
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: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -183.225602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.225602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.234631 (E_RNA)
where:
Base-Base interactions energy: -129.081
where: short stacking energy: -57.164
Base-Backbone interact. energy: 0.358
local terms energy: -54.511614
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -12.921
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: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -177.600192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.600192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.619497 (E_RNA)
where:
Base-Base interactions energy: -121.921
where: short stacking energy: -50.984
Base-Backbone interact. energy: -0.013
local terms energy: -55.685368
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -11.815
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: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -178.971804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.053943 (E_RNA)
where:
Base-Base interactions energy: -124.825
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.380
local terms energy: -53.848593
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -6.556
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -14.306
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -169.785637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.785637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.831873 (E_RNA)
where:
Base-Base interactions energy: -117.523
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.495
local terms energy: -51.814119
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -15.336
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: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -175.528360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.844337 (E_RNA)
where:
Base-Base interactions energy: -121.537
where: short stacking energy: -56.200
Base-Backbone interact. energy: -0.000
local terms energy: -54.306775
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -12.686
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: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -161.121206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.121206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.121206 (E_RNA)
where:
Base-Base interactions energy: -117.068
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.812
local terms energy: -43.241427
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -190.127400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.127400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.127400 (E_RNA)
where:
Base-Base interactions energy: -126.937
where: short stacking energy: -57.310
Base-Backbone interact. energy: -0.043
local terms energy: -63.147098
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -14.501
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: 479
Temperature: 0.950000
Total energy: -185.317989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.317989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.468436 (E_RNA)
where:
Base-Base interactions energy: -127.109
where: short stacking energy: -53.375
Base-Backbone interact. energy: -1.207
local terms energy: -57.151886
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -13.752
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -189.978588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.978588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.002613 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.033
local terms energy: -58.467214
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -16.372
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: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -183.920343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.920343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.040730 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.002
local terms energy: -59.371326
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -14.109
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: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -185.303527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.303527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.322666 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.092
local terms energy: -54.305106
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -12.855
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: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -166.850175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.850175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.919772 (E_RNA)
where:
Base-Base interactions energy: -112.161
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.077
local terms energy: -54.682211
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -12.006
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: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -178.152008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.327451 (E_RNA)
where:
Base-Base interactions energy: -121.391
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.009
local terms energy: -56.928028
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -16.996
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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -164.919877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.060425 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.029
local terms energy: -49.652054
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -7.342
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -10.829
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: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -168.267394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.267394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.333203 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -55.037
Base-Backbone interact. energy: -0.046
local terms energy: -52.574877
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -11.540
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: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -173.531476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.531476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.591467 (E_RNA)
where:
Base-Base interactions energy: -119.014
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.001
local terms energy: -54.576086
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -13.068
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: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -185.089548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.089548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.091613 (E_RNA)
where:
Base-Base interactions energy: -125.856
where: short stacking energy: -57.834
Base-Backbone interact. energy: -0.015
local terms energy: -59.221331
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -186.961209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.961209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.961209 (E_RNA)
where:
Base-Base interactions energy: -131.410
where: short stacking energy: -62.037
Base-Backbone interact. energy: -0.004
local terms energy: -55.547875
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -14.512
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -185.783387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.783387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.950556 (E_RNA)
where:
Base-Base interactions energy: -127.098
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.027
local terms energy: -58.825558
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -13.729
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: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -188.798151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.798151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.869363 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -54.977
Base-Backbone interact. energy: 0.774
local terms energy: -55.660189
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -10.875
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: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -176.408937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.408937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.455204 (E_RNA)
where:
Base-Base interactions energy: -120.819
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.758
local terms energy: -54.878482
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -13.538
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: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -171.307022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.307022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.328385 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.004
local terms energy: -49.975233
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -11.991
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: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -168.388185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.388185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.426896 (E_RNA)
where:
Base-Base interactions energy: -112.279
where: short stacking energy: -44.397
Base-Backbone interact. energy: -0.317
local terms energy: -55.831004
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -8.319
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: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -169.880544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.880544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.041169 (E_RNA)
where:
Base-Base interactions energy: -112.042
where: short stacking energy: -46.405
Base-Backbone interact. energy: -0.222
local terms energy: -57.776820
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -14.524
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: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -165.315598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.315598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.383577 (E_RNA)
where:
Base-Base interactions energy: -111.262
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.007
local terms energy: -54.115033
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -14.226
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: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -172.908873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.908873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.948150 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.189
local terms energy: -49.602506
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -11.430
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: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -192.120417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.120417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.123294 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.015
local terms energy: -63.017599
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -15.312
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -194.436352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.436352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.474479 (E_RNA)
where:
Base-Base interactions energy: -133.450
where: short stacking energy: -61.666
Base-Backbone interact. energy: -0.066
local terms energy: -60.957864
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -16.093
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: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -181.081417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.081417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.205738 (E_RNA)
where:
Base-Base interactions energy: -121.782
where: short stacking energy: -53.592
Base-Backbone interact. energy: -0.068
local terms energy: -59.355970
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -15.054
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: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -187.847601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.847601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.869549 (E_RNA)
where:
Base-Base interactions energy: -134.690
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.004
local terms energy: -53.176240
where:
bonds (distance) C4'-P energy: -6.281
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -16.911
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: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -181.374432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.403436 (E_RNA)
where:
Base-Base interactions energy: -126.158
where: short stacking energy: -53.864
Base-Backbone interact. energy: 0.016
local terms energy: -55.260816
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -14.021
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: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -175.054110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.054110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.054110 (E_RNA)
where:
Base-Base interactions energy: -123.519
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.001
local terms energy: -51.534612
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -6.895
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -14.608
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: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -180.150035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.150035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.360690 (E_RNA)
where:
Base-Base interactions energy: -126.002
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.103
local terms energy: -54.255753
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -13.174
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: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -164.979447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.979447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033715 (E_RNA)
where:
Base-Base interactions energy: -118.027
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.077
local terms energy: -46.929815
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -13.105
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: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -171.158862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566128 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.008
local terms energy: -48.980388
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -15.550
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: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -156.409546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.409546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.522834 (E_RNA)
where:
Base-Base interactions energy: -108.183
where: short stacking energy: -47.564
Base-Backbone interact. energy: -0.084
local terms energy: -48.255720
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -10.429
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: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -192.793697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.793697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.795433 (E_RNA)
where:
Base-Base interactions energy: -134.154
where: short stacking energy: -62.320
Base-Backbone interact. energy: 0.119
local terms energy: -58.760230
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -185.734314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.734314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.820359 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -58.502
Base-Backbone interact. energy: -0.000
local terms energy: -56.781190
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -14.210
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: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -188.836751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.880565 (E_RNA)
where:
Base-Base interactions energy: -128.905
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.002
local terms energy: -59.973384
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -16.245
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: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -187.132533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.132533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.159524 (E_RNA)
where:
Base-Base interactions energy: -130.634
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.015
local terms energy: -56.510570
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -6.919
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -16.549
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -178.341868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.341868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.384478 (E_RNA)
where:
Base-Base interactions energy: -118.565
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.001
local terms energy: -59.819037
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -15.654
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: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -176.010989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.010989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.257124 (E_RNA)
where:
Base-Base interactions energy: -120.126
where: short stacking energy: -56.824
Base-Backbone interact. energy: 0.018
local terms energy: -56.149231
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -15.272
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: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -178.314141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.314141 (E_RNA)
where:
Base-Base interactions energy: -122.698
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.001
local terms energy: -55.614907
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -172.621129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.621129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.621129 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.027
local terms energy: -56.089489
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -172.462130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.462130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.462130 (E_RNA)
where:
Base-Base interactions energy: -117.509
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.744
local terms energy: -54.209301
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -168.931927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.931927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.104745 (E_RNA)
where:
Base-Base interactions energy: -111.992
where: short stacking energy: -44.939
Base-Backbone interact. energy: -0.418
local terms energy: -56.694896
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -15.326
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: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -195.695263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.695263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719625 (E_RNA)
where:
Base-Base interactions energy: -132.654
where: short stacking energy: -62.121
Base-Backbone interact. energy: -0.016
local terms energy: -63.049226
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -18.068
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: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -190.055973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.055973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055973 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.000
local terms energy: -60.464608
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -11.954
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: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -192.349506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.349506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.382566 (E_RNA)
where:
Base-Base interactions energy: -130.609
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.588
local terms energy: -61.185844
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -17.159
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: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -186.594923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.594923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.614135 (E_RNA)
where:
Base-Base interactions energy: -123.216
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.001
local terms energy: -63.397844
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -14.891
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: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -180.322875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.322875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.353370 (E_RNA)
where:
Base-Base interactions energy: -124.550
where: short stacking energy: -53.006
Base-Backbone interact. energy: 0.563
local terms energy: -56.366151
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -13.770
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: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -173.985084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.985084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.074931 (E_RNA)
where:
Base-Base interactions energy: -120.245
where: short stacking energy: -55.378
Base-Backbone interact. energy: -0.006
local terms energy: -53.823533
where:
bonds (distance) C4'-P energy: -4.694
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -13.155
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: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -172.143137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.143137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.160459 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -46.934
Base-Backbone interact. energy: 0.383
local terms energy: -53.633358
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -12.543
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: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -168.671540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.671540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.699331 (E_RNA)
where:
Base-Base interactions energy: -116.465
where: short stacking energy: -47.267
Base-Backbone interact. energy: -0.076
local terms energy: -52.158648
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -11.828
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: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -174.055782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.055782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.190410 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.064
local terms energy: -50.441604
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -3.716
tors. eta vs tors. theta energy: -15.808
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: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -167.259662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.259662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.313951 (E_RNA)
where:
Base-Base interactions energy: -112.241
where: short stacking energy: -46.816
Base-Backbone interact. energy: 1.673
local terms energy: -56.746470
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -13.685
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: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -193.650725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.650725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.687681 (E_RNA)
where:
Base-Base interactions energy: -133.535
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.002
local terms energy: -60.151133
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -13.413
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: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -185.922675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.922675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.922675 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.009
local terms energy: -58.675385
where:
bonds (distance) C4'-P energy: -6.530
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -191.460719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468418 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.563
local terms energy: -62.984111
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -15.444
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: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -180.374386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.374386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.529367 (E_RNA)
where:
Base-Base interactions energy: -122.396
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.000
local terms energy: -58.132978
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -16.069
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: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -176.876466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.876466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.921121 (E_RNA)
where:
Base-Base interactions energy: -121.566
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.057
local terms energy: -55.298267
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -13.393
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: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -173.714309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.714309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.822977 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.004
local terms energy: -55.532964
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -14.746
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: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -179.016342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.016342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.033472 (E_RNA)
where:
Base-Base interactions energy: -124.054
where: short stacking energy: -55.614
Base-Backbone interact. energy: -0.003
local terms energy: -54.976970
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -14.676
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: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -173.502228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.502228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.605830 (E_RNA)
where:
Base-Base interactions energy: -121.191
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.010
local terms energy: -52.404446
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -13.591
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: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -173.325949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.325949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.392979 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -50.862
Base-Backbone interact. energy: -0.527
local terms energy: -45.845526
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -3.435
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -14.000
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: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -158.905784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.905784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.162914 (E_RNA)
where:
Base-Base interactions energy: -122.933
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.067
local terms energy: -36.162424
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -5.266
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: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -196.236577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.236577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.236577 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.006
local terms energy: -59.137718
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -15.506
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: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -191.968665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.005426 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.003
local terms energy: -63.069960
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -16.382
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: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -187.885026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.885026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.915741 (E_RNA)
where:
Base-Base interactions energy: -128.627
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.002
local terms energy: -59.286438
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -15.421
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: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -187.629671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.629671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.629671 (E_RNA)
where:
Base-Base interactions energy: -124.048
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.645
local terms energy: -62.937317
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -17.053
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: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -191.368777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.368777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.395248 (E_RNA)
where:
Base-Base interactions energy: -131.179
where: short stacking energy: -62.356
Base-Backbone interact. energy: 0.454
local terms energy: -60.670505
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -15.983
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: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -171.297908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.297908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.407682 (E_RNA)
where:
Base-Base interactions energy: -117.545
where: short stacking energy: -44.923
Base-Backbone interact. energy: -0.205
local terms energy: -53.657734
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -12.125
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: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -166.535969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.535969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.568220 (E_RNA)
where:
Base-Base interactions energy: -116.909
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.003
local terms energy: -49.656689
where:
bonds (distance) C4'-P energy: -6.147
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -12.429
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: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -172.764010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.764010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.890345 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.703
local terms energy: -54.993481
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -13.966
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: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -171.039208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.039208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.312945 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -54.364
Base-Backbone interact. energy: -0.011
local terms energy: -50.400312
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -7.931
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -11.644
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: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -171.271318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.308735 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.072
local terms energy: -51.360285
where:
bonds (distance) C4'-P energy: -7.733
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -11.647
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: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -189.675194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.675194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.675194 (E_RNA)
where:
Base-Base interactions energy: -126.119
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.061
local terms energy: -63.494860
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -15.923
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: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -194.601855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.601855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648404 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.002
local terms energy: -60.199179
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -16.222
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: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -194.176897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.176897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.210480 (E_RNA)
where:
Base-Base interactions energy: -135.819
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.004
local terms energy: -58.387560
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -14.837
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: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -179.901300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.901300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.934703 (E_RNA)
where:
Base-Base interactions energy: -125.240
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.007
local terms energy: -54.688085
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -11.833
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: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -181.466492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.577238 (E_RNA)
where:
Base-Base interactions energy: -125.860
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.182
local terms energy: -55.535468
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -13.906
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: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -183.087078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.087078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.140929 (E_RNA)
where:
Base-Base interactions energy: -123.621
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.157
local terms energy: -59.363260
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -11.976
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -172.391357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.391357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439644 (E_RNA)
where:
Base-Base interactions energy: -119.559
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.023
local terms energy: -52.857173
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -11.790
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: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -168.896657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.896657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.967736 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.001
local terms energy: -52.500280
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -13.816
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: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -171.437551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.437551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.550317 (E_RNA)
where:
Base-Base interactions energy: -120.109
where: short stacking energy: -55.145
Base-Backbone interact. energy: 0.064
local terms energy: -51.504946
where:
bonds (distance) C4'-P energy: -5.899
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -16.045
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: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -158.816541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.816541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.578291 (E_RNA)
where:
Base-Base interactions energy: -109.808
where: short stacking energy: -49.822
Base-Backbone interact. energy: -0.010
local terms energy: -49.761132
where:
bonds (distance) C4'-P energy: -1.590
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -15.782
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: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -196.276336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.276336 (E_RNA)
where:
Base-Base interactions energy: -133.596
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.000
local terms energy: -62.680231
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.218
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: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -194.196520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.196520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.225352 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.025
local terms energy: -61.729772
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -15.649
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: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -196.137323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.137323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.186208 (E_RNA)
where:
Base-Base interactions energy: -132.341
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.031
local terms energy: -63.813533
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -15.482
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: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -185.962965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.962965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.012279 (E_RNA)
where:
Base-Base interactions energy: -125.175
where: short stacking energy: -59.918
Base-Backbone interact. energy: 0.040
local terms energy: -60.877213
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -14.842
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: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -175.205397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.275536 (E_RNA)
where:
Base-Base interactions energy: -122.502
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.003
local terms energy: -52.770136
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -13.529
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: 487
Temperature: 1.150000
Total energy: -186.424312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.424312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.507515 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.005
local terms energy: -56.448285
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -14.536
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: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -166.541727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.541727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.673606 (E_RNA)
where:
Base-Base interactions energy: -118.015
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.590
local terms energy: -48.068805
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -10.716
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: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -166.008492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.008492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.008492 (E_RNA)
where:
Base-Base interactions energy: -115.857
where: short stacking energy: -50.798
Base-Backbone interact. energy: -0.004
local terms energy: -50.147672
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -176.730618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.730618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.757174 (E_RNA)
where:
Base-Base interactions energy: -121.635
where: short stacking energy: -52.011
Base-Backbone interact. energy: -0.020
local terms energy: -55.102514
where:
bonds (distance) C4'-P energy: -6.298
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -16.306
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: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -153.560797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.560797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.608116 (E_RNA)
where:
Base-Base interactions energy: -109.724
where: short stacking energy: -45.676
Base-Backbone interact. energy: -1.036
local terms energy: -42.848361
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -5.698
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -9.651
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: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -190.923835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.923835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.942724 (E_RNA)
where:
Base-Base interactions energy: -126.765
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.024
local terms energy: -64.153786
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -17.542
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: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -194.783140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.783140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.783140 (E_RNA)
where:
Base-Base interactions energy: -136.225
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.003
local terms energy: -58.555259
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -16.202
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -190.577491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.583758 (E_RNA)
where:
Base-Base interactions energy: -132.640
where: short stacking energy: -62.852
Base-Backbone interact. energy: -0.177
local terms energy: -57.767072
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -14.240
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: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -193.173542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.173542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.173542 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.158
local terms energy: -57.658298
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -12.779
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: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -177.764777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.764777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.832101 (E_RNA)
where:
Base-Base interactions energy: -122.706
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.039
local terms energy: -55.087562
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -13.963
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: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -181.363184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.363184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.412567 (E_RNA)
where:
Base-Base interactions energy: -122.862
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.002
local terms energy: -58.548270
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -13.557
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: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -166.756207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.756207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.782062 (E_RNA)
where:
Base-Base interactions energy: -117.891
where: short stacking energy: -44.475
Base-Backbone interact. energy: -0.053
local terms energy: -48.838005
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -7.474
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: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -173.687125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.687125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.710058 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -49.812
Base-Backbone interact. energy: 0.767
local terms energy: -53.528042
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -12.096
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: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -159.468727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.468727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.473145 (E_RNA)
where:
Base-Base interactions energy: -116.631
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.094
local terms energy: -42.748794
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -9.152
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -157.767884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.767884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.770486 (E_RNA)
where:
Base-Base interactions energy: -105.390
where: short stacking energy: -38.075
Base-Backbone interact. energy: -0.053
local terms energy: -52.327982
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -8.467
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: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -200.343415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.343415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.343415 (E_RNA)
where:
Base-Base interactions energy: -134.139
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.001
local terms energy: -66.203242
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -16.052
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: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -192.831210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.831210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.855917 (E_RNA)
where:
Base-Base interactions energy: -127.437
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.045
local terms energy: -65.373772
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -17.499
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: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -189.540191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.540191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.609731 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.000
local terms energy: -62.212703
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -16.070
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: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -186.829820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.829820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.903414 (E_RNA)
where:
Base-Base interactions energy: -126.902
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.123
local terms energy: -59.878835
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -15.527
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: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -178.784951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.784951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.929583 (E_RNA)
where:
Base-Base interactions energy: -122.973
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.090
local terms energy: -55.866365
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -13.607
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: 489
Temperature: 1.150000
Total energy: -183.338693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.338693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.401413 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.027
local terms energy: -55.702848
where:
bonds (distance) C4'-P energy: -6.579
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -15.178
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: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -178.799296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.799296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.844347 (E_RNA)
where:
Base-Base interactions energy: -116.292
where: short stacking energy: -50.835
Base-Backbone interact. energy: -0.006
local terms energy: -62.546135
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.172
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -171.104737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.104737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.294818 (E_RNA)
where:
Base-Base interactions energy: -112.370
where: short stacking energy: -44.064
Base-Backbone interact. energy: -0.176
local terms energy: -58.748899
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -12.046
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: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -162.868698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.868698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.068829 (E_RNA)
where:
Base-Base interactions energy: -109.845
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.086
local terms energy: -53.138212
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -11.683
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: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -163.868606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.868606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.965781 (E_RNA)
where:
Base-Base interactions energy: -111.563
where: short stacking energy: -41.818
Base-Backbone interact. energy: -1.922
local terms energy: -50.481437
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -7.770
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: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -194.392954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.419546 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -60.433
Base-Backbone interact. energy: -0.053
local terms energy: -63.769340
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -15.464
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: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -191.165316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.165316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.167819 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.001
local terms energy: -61.105950
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.850
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: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -188.709056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.709056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.840420 (E_RNA)
where:
Base-Base interactions energy: -130.084
where: short stacking energy: -56.697
Base-Backbone interact. energy: -0.003
local terms energy: -58.753231
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -13.415
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: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -185.632704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.632704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.632704 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -55.710
Base-Backbone interact. energy: -0.003
local terms energy: -59.995778
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -14.950
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: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -181.681241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.681241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.798868 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.003
local terms energy: -59.186098
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -14.643
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: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -182.841795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.841795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.003807 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.035
local terms energy: -60.441963
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -14.745
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: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -159.320315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.320315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.480871 (E_RNA)
where:
Base-Base interactions energy: -110.173
where: short stacking energy: -44.821
Base-Backbone interact. energy: -0.042
local terms energy: -49.265127
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -8.846
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: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -174.016577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.016577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.108492 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.012
local terms energy: -56.318120
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -13.740
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: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -175.339886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.339886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.339886 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -52.325
Base-Backbone interact. energy: 0.105
local terms energy: -54.742568
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -167.536210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.536210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.536210 (E_RNA)
where:
Base-Base interactions energy: -112.387
where: short stacking energy: -46.046
Base-Backbone interact. energy: -0.023
local terms energy: -55.125930
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -8.323
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -193.797043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.797043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.853674 (E_RNA)
where:
Base-Base interactions energy: -132.465
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.064
local terms energy: -61.324884
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -16.657
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: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -192.448322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.448322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.804205 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.001
local terms energy: -64.085825
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -17.553
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: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -187.545307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.545307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.593823 (E_RNA)
where:
Base-Base interactions energy: -128.968
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.009
local terms energy: -58.616734
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -13.667
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: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -182.490130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.490130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.508868 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.243
local terms energy: -53.782861
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -11.094
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: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -175.092786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.092786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.235875 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.055
local terms energy: -54.113891
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -12.056
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: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -178.965776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.996357 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.525
local terms energy: -57.850489
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -14.101
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: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -178.745922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.762990 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -56.267
Base-Backbone interact. energy: -0.239
local terms energy: -54.387002
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -12.238
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: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -171.721039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.786769 (E_RNA)
where:
Base-Base interactions energy: -119.560
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.000
local terms energy: -52.226278
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -13.140
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -168.548434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.548434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.576399 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.000
local terms energy: -48.420140
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -4.935
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -14.185
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: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -168.969419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.969419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.276617 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.002
local terms energy: -56.298073
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -12.931
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: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -192.808725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.808725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.859498 (E_RNA)
where:
Base-Base interactions energy: -132.682
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.018
local terms energy: -60.159223
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -14.859
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: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -193.677425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.757903 (E_RNA)
where:
Base-Base interactions energy: -128.661
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.035
local terms energy: -65.062006
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -17.499
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: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -183.417425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.515295 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.003
local terms energy: -60.000223
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -15.469
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: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -189.203270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.203270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.298334 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.428
local terms energy: -60.628959
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -14.649
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: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -177.441518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508236 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.003
local terms energy: -55.438401
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -14.243
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: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -178.222719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.222719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.222719 (E_RNA)
where:
Base-Base interactions energy: -124.361
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.011
local terms energy: -53.850475
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -10.423
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: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -181.969659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.969659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.173304 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -59.440
Base-Backbone interact. energy: -0.017
local terms energy: -55.482867
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -17.732
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: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -168.102872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.102872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.102872 (E_RNA)
where:
Base-Base interactions energy: -114.313
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.062
local terms energy: -53.727647
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -163.850798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.850798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.946583 (E_RNA)
where:
Base-Base interactions energy: -116.348
where: short stacking energy: -49.198
Base-Backbone interact. energy: -0.005
local terms energy: -47.593280
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -2.671
tors. eta vs tors. theta energy: -11.216
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: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -152.107027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.107027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.174844 (E_RNA)
where:
Base-Base interactions energy: -106.596
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.486
local terms energy: -45.093378
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -4.629
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -12.216
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: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -193.227208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.227208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346969 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.003
local terms energy: -61.660034
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -17.541
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: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -186.780235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.780235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.833799 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.019
local terms energy: -62.384828
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -15.018
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: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -191.124835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.124835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.291948 (E_RNA)
where:
Base-Base interactions energy: -126.740
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.032
local terms energy: -64.520100
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -17.661
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: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -186.801868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.801868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.808237 (E_RNA)
where:
Base-Base interactions energy: -133.259
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.001
local terms energy: -53.548470
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -17.981
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: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -182.191966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.191966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.223596 (E_RNA)
where:
Base-Base interactions energy: -125.072
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.087
local terms energy: -57.064076
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -12.817
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: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -177.174590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.174590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222377 (E_RNA)
where:
Base-Base interactions energy: -122.329
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.063
local terms energy: -54.830640
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -14.477
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: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -177.531861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.531861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.585493 (E_RNA)
where:
Base-Base interactions energy: -123.799
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.002
local terms energy: -53.784217
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -15.490
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: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -166.186743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.186743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.515290 (E_RNA)
where:
Base-Base interactions energy: -115.401
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.044
local terms energy: -51.069921
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -7.238
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -12.122
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: 493
Temperature: 1.300000
Total energy: -178.064824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.064824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.228321 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -53.189
Base-Backbone interact. energy: -0.016
local terms energy: -55.558425
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -6.383
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -17.397
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: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -168.414358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.414358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.628540 (E_RNA)
where:
Base-Base interactions energy: -111.048
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.102
local terms energy: -57.478056
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -13.721
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: 494
Temperature: 0.900000
Total energy: -190.546163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.546163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.557511 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.002
local terms energy: -60.993414
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -14.530
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: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -188.421630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.421630 (E_RNA)
where:
Base-Base interactions energy: -131.665
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.005
local terms energy: -56.751503
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.072
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: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -187.378594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.378594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.458279 (E_RNA)
where:
Base-Base interactions energy: -130.535
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.050
local terms energy: -56.873254
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.288
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: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -183.239509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.239509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.349647 (E_RNA)
where:
Base-Base interactions energy: -129.296
where: short stacking energy: -62.401
Base-Backbone interact. energy: -0.331
local terms energy: -53.722547
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -15.153
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: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -173.996157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.996157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.213691 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.540
local terms energy: -52.207555
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -10.626
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -184.020307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.020307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.020307 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.622
local terms energy: -53.468278
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -11.072
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: 494
Temperature: 1.200000
Total energy: -165.139802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.139802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.156745 (E_RNA)
where:
Base-Base interactions energy: -109.725
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.021
local terms energy: -55.410914
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -8.999
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: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -171.714361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.714361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778586 (E_RNA)
where:
Base-Base interactions energy: -117.209
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.091
local terms energy: -54.478116
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -14.928
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -162.622544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.622544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.739735 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -52.659
Base-Backbone interact. energy: -0.095
local terms energy: -51.274477
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -10.009
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: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -168.634879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.634879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.926629 (E_RNA)
where:
Base-Base interactions energy: -118.751
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.013
local terms energy: -50.162278
where:
bonds (distance) C4'-P energy: -5.738
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -13.623
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: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -193.968280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.968280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.036113 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.037
local terms energy: -61.765499
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -15.182
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: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -190.778461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.778461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.778461 (E_RNA)
where:
Base-Base interactions energy: -130.773
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.000
local terms energy: -60.005654
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -14.500
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: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -185.155523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.155523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351781 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.167
local terms energy: -57.098338
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -15.334
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: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -188.769071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.769071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.829378 (E_RNA)
where:
Base-Base interactions energy: -127.763
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.001
local terms energy: -61.064978
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.894
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: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -181.131259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.131259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.179078 (E_RNA)
where:
Base-Base interactions energy: -130.400
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.002
local terms energy: -50.776939
where:
bonds (distance) C4'-P energy: -5.748
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -16.088
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: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -176.252141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.252141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.343738 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -47.706
Base-Backbone interact. energy: -0.661
local terms energy: -52.677687
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.461
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: 495
Temperature: 1.200000
Total energy: -181.655388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.655388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657135 (E_RNA)
where:
Base-Base interactions energy: -124.212
where: short stacking energy: -57.511
Base-Backbone interact. energy: -0.126
local terms energy: -57.318733
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -166.348392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.348392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.405010 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -49.262
Base-Backbone interact. energy: -0.000
local terms energy: -51.991476
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -10.903
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: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -171.871308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.871308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.906295 (E_RNA)
where:
Base-Base interactions energy: -118.457
where: short stacking energy: -56.767
Base-Backbone interact. energy: -0.006
local terms energy: -53.442853
where:
bonds (distance) C4'-P energy: -6.260
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -15.178
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: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -158.848539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.848539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.073648 (E_RNA)
where:
Base-Base interactions energy: -111.911
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.704
local terms energy: -46.458312
where:
bonds (distance) C4'-P energy: -4.848
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -10.438
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: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -194.594327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.594327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.657050 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -61.383
Base-Backbone interact. energy: -0.454
local terms energy: -63.264989
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -16.577
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: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -197.237251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.237251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.237251 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.000
local terms energy: -61.855881
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -16.333
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: 496
Temperature: 1.000000
Total energy: -189.603375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.603375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615732 (E_RNA)
where:
Base-Base interactions energy: -137.357
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.052
local terms energy: -52.206039
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -11.576
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: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -179.368845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.368845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.592527 (E_RNA)
where:
Base-Base interactions energy: -122.394
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.013
local terms energy: -57.184954
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -12.752
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: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -187.568215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.568215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.662906 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.080
local terms energy: -56.770252
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.507
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: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -180.995259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.995259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.023923 (E_RNA)
where:
Base-Base interactions energy: -122.504
where: short stacking energy: -53.063
Base-Backbone interact. energy: -0.007
local terms energy: -58.512746
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -13.738
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: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -172.832360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.832360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.863271 (E_RNA)
where:
Base-Base interactions energy: -128.415
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.071
local terms energy: -44.377300
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -7.422
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -13.562
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: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -173.330490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.330490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.463779 (E_RNA)
where:
Base-Base interactions energy: -124.733
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.005
local terms energy: -48.726303
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -10.002
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: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -160.020843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.020843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.121502 (E_RNA)
where:
Base-Base interactions energy: -115.945
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.084
local terms energy: -44.092400
where:
bonds (distance) C4'-P energy: -4.711
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -11.702
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: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -156.599767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.599767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.737660 (E_RNA)
where:
Base-Base interactions energy: -105.611
where: short stacking energy: -42.907
Base-Backbone interact. energy: -0.059
local terms energy: -51.067830
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -7.370
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -11.497
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: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -191.719830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719830 (E_RNA)
where:
Base-Base interactions energy: -134.313
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.039
local terms energy: -57.368236
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -13.725
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: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -188.159357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.221287 (E_RNA)
where:
Base-Base interactions energy: -133.367
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.015
local terms energy: -54.838729
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -12.873
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: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -194.978177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.978177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.978177 (E_RNA)
where:
Base-Base interactions energy: -138.787
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.016
local terms energy: -56.175881
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -11.478
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: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -182.172188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.172188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.172188 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.161
local terms energy: -48.426270
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -7.872
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -12.126
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: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -180.244790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.244790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.327377 (E_RNA)
where:
Base-Base interactions energy: -121.056
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.500
local terms energy: -58.770927
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -11.109
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: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -176.512237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.546398 (E_RNA)
where:
Base-Base interactions energy: -126.025
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.023
local terms energy: -50.497498
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -12.547
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: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -174.370740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.435553 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.056
local terms energy: -57.764847
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -11.143
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: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -172.544542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.614975 (E_RNA)
where:
Base-Base interactions energy: -120.210
where: short stacking energy: -49.163
Base-Backbone interact. energy: -0.286
local terms energy: -52.118305
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -9.738
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: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -163.137491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.137491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.299080 (E_RNA)
where:
Base-Base interactions energy: -111.327
where: short stacking energy: -45.608
Base-Backbone interact. energy: -0.022
local terms energy: -51.950565
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -11.020
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: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -161.930946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.930946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.243840 (E_RNA)
where:
Base-Base interactions energy: -109.993
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.100
local terms energy: -52.150401
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -11.174
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)
out arg RESULTS//1/7KUC-223ba571_01
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -194.986398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.986398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.986398 (E_RNA)
where:
Base-Base interactions energy: -132.682
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.067
local terms energy: -62.236870
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.321
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: 498
Temperature: 0.950000
Total energy: -184.694842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.694842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.694842 (E_RNA)
where:
Base-Base interactions energy: -127.790
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.001
local terms energy: -56.903062
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.882
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -183.037704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.037704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.084861 (E_RNA)
where:
Base-Base interactions energy: -127.354
where: short stacking energy: -50.537
Base-Backbone interact. energy: -0.144
local terms energy: -55.586976
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -12.949
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: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -185.252450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.252450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.326653 (E_RNA)
where:
Base-Base interactions energy: -129.988
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.412
local terms energy: -54.927113
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -10.207
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: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -184.363412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.363412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.363412 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.016
local terms energy: -58.691824
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -175.516970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.562806 (E_RNA)
where:
Base-Base interactions energy: -125.232
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.005
local terms energy: -50.325937
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -12.582
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: 498
Temperature: 1.200000
Total energy: -170.973507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.973507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.033033 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.032
local terms energy: -50.389419
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -13.013
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: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -175.207136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.207136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.269121 (E_RNA)
where:
Base-Base interactions energy: -120.485
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.006
local terms energy: -54.778160
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -9.747
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: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -177.214912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.273773 (E_RNA)
where:
Base-Base interactions energy: -123.040
where: short stacking energy: -53.650
Base-Backbone interact. energy: -0.103
local terms energy: -54.131602
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -12.209
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: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -165.492684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.492684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.575278 (E_RNA)
where:
Base-Base interactions energy: -118.256
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.000
local terms energy: -47.319337
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -10.174
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -11.985
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)